CID 515943

1-(2-amino-5-chloro-phenyl)sulfonyl-n-benzyl-n-methyl-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C19H18ClN3O3S
SMILES
CN(CC1=CC=CC=C1)C(=O)C2=CC=CN2S(=O)(=O)C3=C(C=CC(=C3)Cl)N
InChI
InChI=1S/C19H18ClN3O3S/c1-22(13-14-6-3-2-4-7-14)19(24)17-8-5-11-23(17)27(25,26)18-12-15(20)9-10-16(18)21/h2-12H,13,21H2,1H3
InChIKey
VCWTZHZPDXPCRP-UHFFFAOYSA-N
Compound name
1-(2-amino-5-chlorophenyl)sulfonyl-N-benzyl-N-methylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.07574 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.08302 194.2
[M+Na]+ 426.06496 202.3
[M-H]- 402.06846 204.5
[M+NH4]+ 421.10956 206.5
[M+K]+ 442.03890 196.7
[M+H-H2O]+ 386.07300 186.1
[M+HCOO]- 448.07394 208.6
[M+CH3COO]- 462.08959 223.2
[M+Na-2H]- 424.05041 194.1
[M]+ 403.07519 199.4
[M]- 403.07629 199.4
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.