CID 15954907

Schembl6815436

Structural Information

Molecular Formula
C16H17ClN4O3S2
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)NS(=O)(=O)C)Cl
InChI
InChI=1S/C16H17ClN4O3S2/c1-10(22)18-11-3-5-12(6-4-11)19-16(25)20-13-7-8-15(14(17)9-13)21-26(2,23)24/h3-9,21H,1-2H3,(H,18,22)(H2,19,20,25)
InChIKey
MWRVGBVWOCDENO-UHFFFAOYSA-N
Compound name
N-[4-[[3-chloro-4-(methanesulfonamido)phenyl]carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

412.04306 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.05034 190.5
[M+Na]+ 435.03228 195.8
[M-H]- 411.03578 196.3
[M+NH4]+ 430.07688 200.9
[M+K]+ 451.00622 188.1
[M+H-H2O]+ 395.04032 183.2
[M+HCOO]- 457.04126 200.0
[M+CH3COO]- 471.05691 226.6
[M+Na-2H]- 433.01773 192.9
[M]+ 412.04251 192.8
[M]- 412.04361 192.8
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

patents stripe