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]+ 302.11690 166.4
[M+Na]+ 324.09884 170.7
[M-H]- 300.10234 171.0
[M+NH4]+ 319.14344 181.1
[M+K]+ 340.07278 170.1
[M+H-H2O]+ 284.10688 158.6
[M+HCOO]- 346.10782 185.6
[M+CH3COO]- 360.12347 211.6
[M+Na-2H]- 322.08429 168.9
[M]+ 301.10907 170.5
[M]- 301.11017 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.