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

347
Patents

394.15625 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.163526 190.6
[M+Na]+ 417.145468 194.1
[M-H]- 393.148974 194.0
[M+NH4]+ 412.190073 199.9
[M+K]+ 433.119408 190.1
[M+H-H2O]+ 377.153510 182.3
[M+HCOO]- 439.154451 204.6
[M+CH3COO]- 453.170101 221.0
[M+Na-2H]- 415.130916 191.1
[M]+ 394.15570142 193.5
[M]- 394.15679858 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.