CID 5470031

Nsc696795

Structural Information

Molecular Formula
C24H20N4O
SMILES
C1CC2=C(C(=C(N2C1)C(=O)NC3=CC=CC=C3)N=C/C=C/C4=CC=CC=C4)C#N
InChI
InChI=1S/C24H20N4O/c25-17-20-21-14-8-16-28(21)23(24(29)27-19-12-5-2-6-13-19)22(20)26-15-7-11-18-9-3-1-4-10-18/h1-7,9-13,15H,8,14,16H2,(H,27,29)/b11-7+,26-15?
InChIKey
QZAMKCORSYSIAG-ZYQGMEQDSA-N
Compound name
1-cyano-N-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1637 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17098 200.4
[M+Na]+ 403.15292 208.8
[M-H]- 379.15642 207.7
[M+NH4]+ 398.19752 212.8
[M+K]+ 419.12686 198.3
[M+H-H2O]+ 363.16096 183.6
[M+HCOO]- 425.16190 220.0
[M+CH3COO]- 439.17755 208.0
[M+Na-2H]- 401.13837 199.0
[M]+ 380.16315 194.1
[M]- 380.16425 194.1
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.