CID 45039714

7606-29-3

Structural Information

Molecular Formula
C19H24N2O2S
SMILES
C[C@H](CN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)OC)CN(C)C
InChI
InChI=1S/C19H24N2O2S/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)24(22)19-10-9-15(23-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-,24?/m0/s1
InChIKey
CUJAZGOWDHBZEI-LNYMIDHXSA-N
Compound name
(2S)-3-(2-methoxy-5-oxophenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.15585 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.163126 179.3
[M+Na]+ 367.145068 186.6
[M-H]- 343.148574 184.2
[M+NH4]+ 362.189673 194.6
[M+K]+ 383.119008 182.7
[M+H-H2O]+ 327.153110 171.0
[M+HCOO]- 389.154051 193.1
[M+CH3COO]- 403.169701 220.1
[M+Na-2H]- 365.130516 181.4
[M]+ 344.15530142 185.2
[M]- 344.15639858 185.2
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.