CID 36102

Tosifen

Structural Information

Molecular Formula
C17H20N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N[C@@H](C)CC2=CC=CC=C2
InChI
InChI=1S/C17H20N2O3S/c1-13-8-10-16(11-9-13)23(21,22)19-17(20)18-14(2)12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H2,18,19,20)/t14-/m0/s1
InChIKey
XILWEASNBDKGSA-AWEZNQCLSA-N
Compound name
1-(4-methylphenyl)sulfonyl-3-[(2S)-1-phenylpropan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

658
Patents

332.11948 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12676 176.8
[M+Na]+ 355.10870 181.6
[M-H]- 331.11220 183.0
[M+NH4]+ 350.15330 189.9
[M+K]+ 371.08264 177.3
[M+H-H2O]+ 315.11674 168.5
[M+HCOO]- 377.11768 194.4
[M+CH3COO]- 391.13333 210.4
[M+Na-2H]- 353.09415 179.6
[M]+ 332.11893 178.2
[M]- 332.12003 178.2
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

No patent data available for this compound.