CID 76606

1-isopropyl-3-(phenylsulfonyl)urea

Structural Information

Molecular Formula
C10H14N2O3S
SMILES
CC(C)NC(=O)NS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H14N2O3S/c1-8(2)11-10(13)12-16(14,15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)
InChIKey
BSCZJJVDWSSENV-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

242.07251 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07979 152.1
[M+Na]+ 265.06173 157.7
[M-H]- 241.06523 155.6
[M+NH4]+ 260.10633 169.0
[M+K]+ 281.03567 155.4
[M+H-H2O]+ 225.06977 145.4
[M+HCOO]- 287.07071 170.5
[M+CH3COO]- 301.08636 192.3
[M+Na-2H]- 263.04718 155.9
[M]+ 242.07196 153.1
[M]- 242.07306 153.1
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

patents stripe