CID 24171

Mesuprine hydrochloride

Structural Information

Molecular Formula
C19H26N2O5S
SMILES
CC(C(C1=CC(=C(C=C1)O)NS(=O)(=O)C)O)NCCC2=CC=C(C=C2)OC
InChI
InChI=1S/C19H26N2O5S/c1-13(20-11-10-14-4-7-16(26-2)8-5-14)19(23)15-6-9-18(22)17(12-15)21-27(3,24)25/h4-9,12-13,19-23H,10-11H2,1-3H3
InChIKey
REDZESHOHKCYCT-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-5-[1-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]propyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

343
Patents

394.15625 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16353 190.6
[M+Na]+ 417.14547 194.1
[M-H]- 393.14897 194.0
[M+NH4]+ 412.19007 199.9
[M+K]+ 433.11941 190.1
[M+H-H2O]+ 377.15351 182.3
[M+HCOO]- 439.15445 204.6
[M+CH3COO]- 453.17010 221.0
[M+Na-2H]- 415.13092 191.1
[M]+ 394.15570 193.5
[M]- 394.15680 193.5
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.