CID 393857

Nsc696784

Structural Information

Molecular Formula
C21H22ClN5O3
SMILES
C1CC2=C(C(=C(N2C1)C(=O)NC3=CC=C(C=C3)Cl)NC(=O)CN4CCOCC4)C#N
InChI
InChI=1S/C21H22ClN5O3/c22-14-3-5-15(6-4-14)24-21(29)20-19(16(12-23)17-2-1-7-27(17)20)25-18(28)13-26-8-10-30-11-9-26/h3-6H,1-2,7-11,13H2,(H,24,29)(H,25,28)
InChIKey
TZQALIJJSYTEAH-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-1-cyano-2-[(2-morpholin-4-ylacetyl)amino]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.1411 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.14838 202.3
[M+Na]+ 450.13032 209.1
[M-H]- 426.13382 207.3
[M+NH4]+ 445.17492 210.6
[M+K]+ 466.10426 201.4
[M+H-H2O]+ 410.13836 186.1
[M+HCOO]- 472.13930 210.8
[M+CH3COO]- 486.15495 208.1
[M+Na-2H]- 448.11577 198.6
[M]+ 427.14055 196.0
[M]- 427.14165 196.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.