CID 393852

Nsc696779

Structural Information

Molecular Formula
C17H15ClN4O2
SMILES
CC(=O)NC1=C(N2CCCC2=C1C#N)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H15ClN4O2/c1-10(23)20-15-13(9-19)14-3-2-8-22(14)16(15)17(24)21-12-6-4-11(18)5-7-12/h4-7H,2-3,8H2,1H3,(H,20,23)(H,21,24)
InChIKey
PHUDSDGYYVIQDH-UHFFFAOYSA-N
Compound name
2-acetamido-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

342.08835 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09563 187.2
[M+Na]+ 365.07757 197.3
[M-H]- 341.08107 192.1
[M+NH4]+ 360.12217 202.0
[M+K]+ 381.05151 189.3
[M+H-H2O]+ 325.08561 173.2
[M+HCOO]- 387.08655 201.6
[M+CH3COO]- 401.10220 222.8
[M+Na-2H]- 363.06302 185.2
[M]+ 342.08780 183.4
[M]- 342.08890 183.4
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.