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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	353.116376	192.4
[M+Na]+	375.098318	203.0
[M-H]-	351.101824	198.0
[M+NH4]+	370.142923	207.6
[M+K]+	391.072258	193.4
[M+H-H2O]+	335.106360	177.7
[M+HCOO]-	397.107301	208.4
[M+CH3COO]-	411.122951	226.1
[M+Na-2H]-	373.083766	190.6
[M]+	352.10855142	189.4
[M]-	352.10964858	189.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.