CID 5470029

Nsc696790

Structural Information

Molecular Formula
C19H17ClN4O
SMILES
C/C=C/C=NC1=C(N2CCCC2=C1C#N)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H17ClN4O/c1-2-3-10-22-17-15(12-21)16-5-4-11-24(16)18(17)19(25)23-14-8-6-13(20)7-9-14/h2-3,6-10H,4-5,11H2,1H3,(H,23,25)/b3-2+,22-10?
InChIKey
OGKZDILYMJVWKM-FMXNKUOSSA-N
Compound name
2-[[(E)-but-2-enylidene]amino]-N-(4-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1091 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11638 192.4
[M+Na]+ 375.09832 203.0
[M-H]- 351.10182 198.0
[M+NH4]+ 370.14292 207.6
[M+K]+ 391.07226 193.4
[M+H-H2O]+ 335.10636 177.7
[M+HCOO]- 397.10730 208.4
[M+CH3COO]- 411.12295 226.1
[M+Na-2H]- 373.08377 190.6
[M]+ 352.10855 189.4
[M]- 352.10965 189.4
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.