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

26
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 187.9
[M+Na]+ 405.08794 193.7
[M-H]- 381.09144 197.4
[M+NH4]+ 400.13254 198.6
[M+K]+ 421.06188 188.7
[M+H-H2O]+ 365.09598 178.3
[M+HCOO]- 427.09692 207.1
[M+CH3COO]- 441.11257 218.1
[M+Na-2H]- 403.07339 192.6
[M]+ 382.09817 190.0
[M]- 382.09927 190.0
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