CID 5470025

Nsc696786

Structural Information

Molecular Formula
C19H18N4O
SMILES
C/C=C/C=NC1=C(N2CCCC2=C1C#N)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C19H18N4O/c1-2-3-11-21-17-15(13-20)16-10-7-12-23(16)18(17)19(24)22-14-8-5-4-6-9-14/h2-6,8-9,11H,7,10,12H2,1H3,(H,22,24)/b3-2+,21-11?
InChIKey
PDSIFOXFIWGKOP-CTMZFLAVSA-N
Compound name
2-[[(E)-but-2-enylidene]amino]-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

318.14807 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15535 182.2
[M+Na]+ 341.13729 191.1
[M-H]- 317.14079 187.7
[M+NH4]+ 336.18189 197.6
[M+K]+ 357.11123 183.2
[M+H-H2O]+ 301.14533 166.8
[M+HCOO]- 363.14627 202.4
[M+CH3COO]- 377.16192 221.9
[M+Na-2H]- 339.12274 181.8
[M]+ 318.14752 176.9
[M]- 318.14862 176.9
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.