PubChemLite - Fce 24379 (C20H22N4O2)

Structural Information

Molecular Formula

SMILES

CN1C[C@@H](C2=CC3=C4C(=CNC4=CC=C3)C[C@H]21)CN5CCC(=O)NC5=O

InChI

InChI=1S/C20H22N4O2/c1-23-10-14(11-24-6-5-18(25)22-20(24)26)15-7-12-3-2-4-16-19(12)13(9-21-16)8-17(15)23/h2-4,7,9,14,17,21H,5-6,8,10-11H2,1H3,(H,22,25,26)/t14-,17-/m1/s1

InChIKey

OJPZLSMBNYRZIW-RHSMWYFYSA-N

Compound name

1-[[(4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaen-4-yl]methyl]-1,3-diazinane-2,4-dione

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]+	351.18158	188.1
[M+Na]+	373.16352	196.3
[M-H]-	349.16702	191.3
[M+NH4]+	368.20812	200.9
[M+K]+	389.13746	191.0
[M+H-H2O]+	333.17156	178.7
[M+HCOO]-	395.17250	198.0
[M+CH3COO]-	409.18815	196.0
[M+Na-2H]-	371.14897	186.1
[M]+	350.17375	183.0
[M]-	350.17485	183.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

351.18158

188.1

[M+Na]+

373.16352

196.3

[M-H]-

349.16702

191.3

[M+NH4]+

368.20812

200.9

[M+K]+

389.13746

191.0

[M+H-H2O]+

333.17156

178.7

[M+HCOO]-

395.17250

198.0

[M+CH3COO]-

409.18815

196.0

[M+Na-2H]-

371.14897

186.1

[M]+

350.17375

183.0

[M]-

350.17485

183.0

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

Fce 24379

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe