PubChemLite - 102132-09-2 (C26H42N4O4)

Structural Information

Molecular Formula

SMILES

CCN(CC)C(=O)COC1=C(C=CC=C1OC)CNCCCNC(=O)C2=CC(NC2(C)C)(C)C

InChI

InChI=1S/C26H42N4O4/c1-8-30(9-2)22(31)18-34-23-19(12-10-13-21(23)33-7)17-27-14-11-15-28-24(32)20-16-25(3,4)29-26(20,5)6/h10,12-13,16,27,29H,8-9,11,14-15,17-18H2,1-7H3,(H,28,32)

InChIKey

AULMFZUQORMRIR-UHFFFAOYSA-N

Compound name

N-[3-[[2-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

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]+	475.32790	215.1
[M+Na]+	497.30984	217.5
[M-H]-	473.31334	219.7
[M+NH4]+	492.35444	226.8
[M+K]+	513.28378	215.5
[M+H-H2O]+	457.31788	207.4
[M+HCOO]-	519.31882	234.7
[M+CH3COO]-	533.33447	247.5
[M+Na-2H]-	495.29529	212.8
[M]+	474.32007	220.8
[M]-	474.32117	220.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.32790

215.1

[M+Na]+

497.30984

217.5

[M-H]-

473.31334

219.7

[M+NH4]+

492.35444

226.8

[M+K]+

513.28378

215.5

[M+H-H2O]+

457.31788

207.4

[M+HCOO]-

519.31882

234.7

[M+CH3COO]-

533.33447

247.5

[M+Na-2H]-

495.29529

212.8

[M]+

474.32007

220.8

[M]-

474.32117

220.8

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

102132-09-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe