CID 134962552

Benzenesulfonamide, n-formyl-4-methyl-n-[2-oxo-2-[1-(phenylsulfonyl)-1h-pyrrol-3-yl]ethyl]-

Structural Information

Molecular Formula
C20H18N2O6S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3)C=O
InChI
InChI=1S/C20H18N2O6S2/c1-16-7-9-19(10-8-16)30(27,28)22(15-23)14-20(24)17-11-12-21(13-17)29(25,26)18-5-3-2-4-6-18/h2-13,15H,14H2,1H3
InChIKey
QIYAJVXTLQCSTN-UHFFFAOYSA-N
Compound name
N-[2-[1-(benzenesulfonyl)pyrrol-3-yl]-2-oxoethyl]-N-(4-methylphenyl)sulfonylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.06064 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.06792 205.2
[M+Na]+ 469.04986 212.0
[M-H]- 445.05336 214.8
[M+NH4]+ 464.09446 214.6
[M+K]+ 485.02380 207.5
[M+H-H2O]+ 429.05790 197.0
[M+HCOO]- 491.05884 217.5
[M+CH3COO]- 505.07449 226.0
[M+Na-2H]- 467.03531 207.1
[M]+ 446.06009 211.8
[M]- 446.06119 211.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.