CID 145744453

2102522-55-2

Structural Information

Molecular Formula
C20H18N2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C20H18N2O4S/c1-15-10-12-19(13-11-15)27(24,25)26-18-9-5-8-17(14-18)22-20(23)21-16-6-3-2-4-7-16/h2-14H,1H3,(H2,21,22,23)
InChIKey
IJOMASMGVHGIEV-UHFFFAOYSA-N
Compound name
[3-(phenylcarbamoylamino)phenyl] 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

382.09872 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.10600 187.1
[M+Na]+ 405.08794 199.7
[M+NH4]+ 400.13254 193.6
[M+K]+ 421.06188 191.2
[M-H]- 381.09144 193.0
[M+Na-2H]- 403.07339 197.4
[M]+ 382.09817 191.0
[M]- 382.09927 191.0
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