CID 393855

Nsc696782

Structural Information

Molecular Formula
C22H25N5O3
SMILES
CC1=CC=C(C=C1)NC(=O)C2=C(C(=C3N2CCC3)C#N)NC(=O)CN4CCOCC4
InChI
InChI=1S/C22H25N5O3/c1-15-4-6-16(7-5-15)24-22(29)21-20(17(13-23)18-3-2-8-27(18)21)25-19(28)14-26-9-11-30-12-10-26/h4-7H,2-3,8-12,14H2,1H3,(H,24,29)(H,25,28)
InChIKey
AKMKHWJFVFXVDZ-UHFFFAOYSA-N
Compound name
1-cyano-N-(4-methylphenyl)-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

407.19574 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.20302 197.4
[M+Na]+ 430.18496 202.9
[M-H]- 406.18846 202.4
[M+NH4]+ 425.22956 205.6
[M+K]+ 446.15890 196.5
[M+H-H2O]+ 390.19300 180.8
[M+HCOO]- 452.19394 209.7
[M+CH3COO]- 466.20959 203.3
[M+Na-2H]- 428.17041 193.9
[M]+ 407.19519 189.3
[M]- 407.19629 189.3
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.