CID 393854

Nsc696781

Structural Information

Molecular Formula
C21H23N5O3
SMILES
C1CC2=C(C(=C(N2C1)C(=O)NC3=CC=CC=C3)NC(=O)CN4CCOCC4)C#N
InChI
InChI=1S/C21H23N5O3/c22-13-16-17-7-4-8-26(17)20(21(28)23-15-5-2-1-3-6-15)19(16)24-18(27)14-25-9-11-29-12-10-25/h1-3,5-6H,4,7-12,14H2,(H,23,28)(H,24,27)
InChIKey
AZBUGRNCQZAQPQ-UHFFFAOYSA-N
Compound name
1-cyano-2-[(2-morpholin-4-ylacetyl)amino]-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.18008 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.18736 192.5
[M+Na]+ 416.16930 197.7
[M-H]- 392.17280 197.3
[M+NH4]+ 411.21390 200.9
[M+K]+ 432.14324 191.3
[M+H-H2O]+ 376.17734 175.7
[M+HCOO]- 438.17828 205.1
[M+CH3COO]- 452.19393 198.5
[M+Na-2H]- 414.15475 190.1
[M]+ 393.17953 183.7
[M]- 393.18063 183.7
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.