CID 393865

Nsc696792

Structural Information

Molecular Formula
C21H22N4O
SMILES
C1CCC(=NC2=C(N3CCCC3=C2C#N)C(=O)NC4=CC=CC=C4)CC1
InChI
InChI=1S/C21H22N4O/c22-14-17-18-12-7-13-25(18)20(19(17)23-15-8-3-1-4-9-15)21(26)24-16-10-5-2-6-11-16/h2,5-6,10-11H,1,3-4,7-9,12-13H2,(H,24,26)
InChIKey
ASKJGVIVSFYXLE-UHFFFAOYSA-N
Compound name
1-cyano-2-(cyclohexylideneamino)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.17935 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.18663 186.9
[M+Na]+ 369.16857 193.7
[M-H]- 345.17207 194.0
[M+NH4]+ 364.21317 200.6
[M+K]+ 385.14251 184.6
[M+H-H2O]+ 329.17661 170.8
[M+HCOO]- 391.17755 203.7
[M+CH3COO]- 405.19320 194.6
[M+Na-2H]- 367.15402 184.9
[M]+ 346.17880 176.9
[M]- 346.17990 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.