CID 367471

101289-36-5

Structural Information

Molecular Formula
C16H18N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C16H18N2O3S/c1-13-7-9-15(10-8-13)22(20,21)18-16(19)17-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,17,18,19)
InChIKey
CZHCDTXIWCBSSU-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonyl-3-(2-phenylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

318.10382 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11110 172.4
[M+Na]+ 341.09304 178.1
[M-H]- 317.09654 178.8
[M+NH4]+ 336.13764 186.2
[M+K]+ 357.06698 173.4
[M+H-H2O]+ 301.10108 164.2
[M+HCOO]- 363.10202 191.5
[M+CH3COO]- 377.11767 206.6
[M+Na-2H]- 339.07849 176.7
[M]+ 318.10327 174.1
[M]- 318.10437 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.