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 198.9
[M+Na]+ 469.04986 208.5
[M+NH4]+ 464.09446 203.0
[M+K]+ 485.02380 203.0
[M-H]- 445.05336 200.9
[M+Na-2H]- 467.03531 205.9
[M]+ 446.06009 201.5
[M]- 446.06119 201.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.