CID 129318744

2725579-25-7

Structural Information

Molecular Formula
C18H22N2OS
SMILES
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)C[N+](C)(C)[O-]
InChI
InChI=1S/C18H22N2OS/c1-14(13-20(2,3)21)12-19-15-8-4-6-10-17(15)22-18-11-7-5-9-16(18)19/h4-11,14H,12-13H2,1-3H3
InChIKey
TYLDBHLLMPJPCR-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1453 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15258 168.8
[M+Na]+ 337.13452 174.1
[M-H]- 313.13802 171.8
[M+NH4]+ 332.17912 184.0
[M+K]+ 353.10846 164.7
[M+H-H2O]+ 297.14256 165.7
[M+HCOO]- 359.14350 181.1
[M+CH3COO]- 373.15915 203.3
[M+Na-2H]- 335.11997 176.1
[M]+ 314.14475 168.2
[M]- 314.14585 168.2
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.