CID 26430

Methiomeprazine hydrochloride

Structural Information

Molecular Formula
C19H24N2S2
SMILES
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)SC)CN(C)C
InChI
InChI=1S/C19H24N2S2/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3
InChIKey
AQMNNXSLDLIGII-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-3-(2-methylsulfanylphenothiazin-10-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

58
Patents

344.1381 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14538 174.8
[M+Na]+ 367.12732 181.4
[M-H]- 343.13082 178.6
[M+NH4]+ 362.17192 190.3
[M+K]+ 383.10126 175.7
[M+H-H2O]+ 327.13536 167.2
[M+HCOO]- 389.13630 182.6
[M+CH3COO]- 403.15195 184.3
[M+Na-2H]- 365.11277 176.5
[M]+ 344.13755 179.2
[M]- 344.13865 179.2
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