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]+ 280.121106 168.0
[M+Na]+ 302.103048 178.0
[M-H]- 278.106554 172.3
[M+NH4]+ 297.147653 185.0
[M+K]+ 318.076988 171.7
[M+H-H2O]+ 262.111090 154.6
[M+HCOO]- 324.112031 182.2
[M+CH3COO]- 338.127681 211.4
[M+Na-2H]- 300.088496 165.2
[M]+ 279.11328142 163.6
[M]- 279.11437858 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.