CID 16227420

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

Structural Information

Molecular Formula
C15H14ClN3O
SMILES
CC1=C(N(C(=C1C#N)NC(=O)CCl)C2=CC=CC=C2)C
InChI
InChI=1S/C15H14ClN3O/c1-10-11(2)19(12-6-4-3-5-7-12)15(13(10)9-17)18-14(20)8-16/h3-7H,8H2,1-2H3,(H,18,20)
InChIKey
UKKXCSHWORZBQM-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.08255 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08983 169.3
[M+Na]+ 310.07177 180.8
[M-H]- 286.07527 173.7
[M+NH4]+ 305.11637 184.4
[M+K]+ 326.04571 173.8
[M+H-H2O]+ 270.07981 155.3
[M+HCOO]- 332.08075 185.0
[M+CH3COO]- 346.09640 213.2
[M+Na-2H]- 308.05722 169.5
[M]+ 287.08200 167.0
[M]- 287.08310 167.0
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.