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
2
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

literature stripe

Patent stripe

patents stripe