PubChemLite - Tzp-102 (C28H44N4O4)

Structural Information

Molecular Formula

SMILES

C[C@H]1CCC2=CC=CC=C2O[C@@H](CN[C@H](C(=O)N([C@@H](C(=O)N[C@@H](C(=O)N1)CC(C)C)C)C)C3CC3)C

InChI

InChI=1S/C28H44N4O4/c1-17(2)15-23-27(34)30-18(3)11-12-21-9-7-8-10-24(21)36-19(4)16-29-25(22-13-14-22)28(35)32(6)20(5)26(33)31-23/h7-10,17-20,22-23,25,29H,11-16H2,1-6H3,(H,30,34)(H,31,33)/t18-,19+,20+,23+,25-/m0/s1

InChIKey

HIIMPSTXUQUYOO-FPJBJBNZSA-N

Compound name

(3R,6S,9R,12R,15S)-6-cyclopropyl-3,8,9,15-tetramethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	501.34352	230.4
[M+Na]+	523.32546	235.3
[M-H]-	499.32896	228.9
[M+NH4]+	518.37006	223.1
[M+K]+	539.29940	228.8
[M+H-H2O]+	483.33350	225.5
[M+HCOO]-	545.33444	230.4
[M+CH3COO]-	559.35009	234.9
[M+Na-2H]-	521.31091	220.0
[M]+	500.33569	222.8
[M]-	500.33679	222.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

501.34352

230.4

[M+Na]+

523.32546

235.3

[M-H]-

499.32896

228.9

[M+NH4]+

518.37006

223.1

[M+K]+

539.29940

228.8

[M+H-H2O]+

483.33350

225.5

[M+HCOO]-

545.33444

230.4

[M+CH3COO]-

559.35009

234.9

[M+Na-2H]-

521.31091

220.0

[M]+

500.33569

222.8

[M]-

500.33679

222.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Tzp-102

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe