CID 16227491

2-chloro-n-(3-cyano-1-cyclopentyl-4,5-dimethyl-1h-pyrrol-2-yl)acetamide

Structural Information

Molecular Formula
C14H18ClN3O
SMILES
CC1=C(N(C(=C1C#N)NC(=O)CCl)C2CCCC2)C
InChI
InChI=1S/C14H18ClN3O/c1-9-10(2)18(11-5-3-4-6-11)14(12(9)8-16)17-13(19)7-15/h11H,3-7H2,1-2H3,(H,17,19)
InChIKey
LDEAWDWTZIEKJO-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.11383 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12111 168.0
[M+Na]+ 302.10305 178.0
[M-H]- 278.10655 172.3
[M+NH4]+ 297.14765 185.0
[M+K]+ 318.07699 171.7
[M+H-H2O]+ 262.11109 154.6
[M+HCOO]- 324.11203 182.2
[M+CH3COO]- 338.12768 211.4
[M+Na-2H]- 300.08850 165.2
[M]+ 279.11328 163.6
[M]- 279.11438 163.6
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.