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

1
Patents

270.10382 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.111096 152.0
[M+Na]+ 293.093038 159.9
[M-H]- 269.096544 158.0
[M+NH4]+ 288.137643 163.0
[M+K]+ 309.066978 154.5
[M+H-H2O]+ 253.101080 145.4
[M+HCOO]- 315.102021 170.7
[M+CH3COO]- 329.117671 200.0
[M+Na-2H]- 291.078486 156.6
[M]+ 270.10327142 156.1
[M]- 270.10436858 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