CID 154451

N-[4-[1-hydroxy-2-[nitroso(propan-2-yl)amino]ethyl]phenyl]methanesulfonamide

Structural Information

Molecular Formula
C12H19N3O4S
SMILES
CC(C)N(CC(C1=CC=C(C=C1)NS(=O)(=O)C)O)N=O
InChI
InChI=1S/C12H19N3O4S/c1-9(2)15(14-17)8-12(16)10-4-6-11(7-5-10)13-20(3,18)19/h4-7,9,12-13,16H,8H2,1-3H3
InChIKey
JRGLEYZCDAJXQF-UHFFFAOYSA-N
Compound name
N-[4-[1-hydroxy-2-[nitroso(propan-2-yl)amino]ethyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.10962 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.116896 166.4
[M+Na]+ 324.098838 170.7
[M-H]- 300.102344 171.0
[M+NH4]+ 319.143443 181.1
[M+K]+ 340.072778 170.1
[M+H-H2O]+ 284.106880 158.6
[M+HCOO]- 346.107821 185.6
[M+CH3COO]- 360.123471 211.6
[M+Na-2H]- 322.084286 168.9
[M]+ 301.10907142 170.5
[M]- 301.11016858 170.5
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.