CID 393867

Nsc696794

Structural Information

Molecular Formula
C22H18N4O
SMILES
C1CC2=C(C(=C(N2C1)C(=O)NC3=CC=CC=C3)N=CC4=CC=CC=C4)C#N
InChI
InChI=1S/C22H18N4O/c23-14-18-19-12-7-13-26(19)21(22(27)25-17-10-5-2-6-11-17)20(18)24-15-16-8-3-1-4-9-16/h1-6,8-11,15H,7,12-13H2,(H,25,27)
InChIKey
MPXCZFFCIMXRHJ-UHFFFAOYSA-N
Compound name
2-(benzylideneamino)-1-cyano-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.14807 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15535 191.7
[M+Na]+ 377.13729 200.6
[M-H]- 353.14079 199.4
[M+NH4]+ 372.18189 205.1
[M+K]+ 393.11123 191.1
[M+H-H2O]+ 337.14533 175.2
[M+HCOO]- 399.14627 211.8
[M+CH3COO]- 413.16192 200.1
[M+Na-2H]- 375.12274 191.4
[M]+ 354.14752 185.6
[M]- 354.14862 185.6
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.