CID 2757395

4-(4-chloro-benzoylamino)-1-methyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C13H11ClN2O3
SMILES
CN1C=C(C=C1C(=O)O)NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H11ClN2O3/c1-16-7-10(6-11(16)13(18)19)15-12(17)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,17)(H,18,19)
InChIKey
RXUQGVQIIDGAKT-UHFFFAOYSA-N
Compound name
4-[(4-chlorobenzoyl)amino]-1-methylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0458 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.05308 159.7
[M+Na]+ 301.03502 168.7
[M-H]- 277.03852 164.7
[M+NH4]+ 296.07962 176.2
[M+K]+ 317.00896 163.9
[M+H-H2O]+ 261.04306 153.2
[M+HCOO]- 323.04400 177.9
[M+CH3COO]- 337.05965 196.8
[M+Na-2H]- 299.02047 160.9
[M]+ 278.04525 162.1
[M]- 278.04635 162.1
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.