CID 3041769

5'-(2-(cyclopropylamino)ethyl)-2'-hydroxy-methanesulfonanilide hydrochloride

Structural Information

Molecular Formula
C12H18N2O3S
SMILES
CS(=O)(=O)NC1=C(C=CC(=C1)CCNC2CC2)O
InChI
InChI=1S/C12H18N2O3S/c1-18(16,17)14-11-8-9(2-5-12(11)15)6-7-13-10-3-4-10/h2,5,8,10,13-15H,3-4,6-7H2,1H3
InChIKey
FGJDLNNKBCUKPC-UHFFFAOYSA-N
Compound name
N-[5-[2-(cyclopropylamino)ethyl]-2-hydroxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.10382 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11110 152.0
[M+Na]+ 293.09304 159.9
[M-H]- 269.09654 158.0
[M+NH4]+ 288.13764 163.0
[M+K]+ 309.06698 154.5
[M+H-H2O]+ 253.10108 145.4
[M+HCOO]- 315.10202 170.7
[M+CH3COO]- 329.11767 200.0
[M+Na-2H]- 291.07849 156.6
[M]+ 270.10327 156.1
[M]- 270.10437 156.1
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

patents stripe