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]+ 288.089826 169.3
[M+Na]+ 310.071768 180.8
[M-H]- 286.075274 173.7
[M+NH4]+ 305.116373 184.4
[M+K]+ 326.045708 173.8
[M+H-H2O]+ 270.079810 155.3
[M+HCOO]- 332.080751 185.0
[M+CH3COO]- 346.096401 213.2
[M+Na-2H]- 308.057216 169.5
[M]+ 287.08200142 167.0
[M]- 287.08309858 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.