CID 367378

Nsc637067

Structural Information

Molecular Formula
C16H19N3O5S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C16H19N3O5S2/c1-12-4-8-16(9-5-12)26(23,24)19(3)18-25(21,22)15-10-6-14(7-11-15)17-13(2)20/h4-11,18H,1-3H3,(H,17,20)
InChIKey
IWGZYFJCUZMFLC-UHFFFAOYSA-N
Compound name
N-[4-[[methyl-(4-methylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.0766 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.08388 188.9
[M+Na]+ 420.06582 193.8
[M-H]- 396.06932 195.7
[M+NH4]+ 415.11042 199.3
[M+K]+ 436.03976 189.5
[M+H-H2O]+ 380.07386 180.1
[M+HCOO]- 442.07480 202.4
[M+CH3COO]- 456.09045 224.3
[M+Na-2H]- 418.05127 193.5
[M]+ 397.07605 192.6
[M]- 397.07715 192.6
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.