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]+ 315.152576 168.8
[M+Na]+ 337.134518 174.1
[M-H]- 313.138024 171.8
[M+NH4]+ 332.179123 184.0
[M+K]+ 353.108458 164.7
[M+H-H2O]+ 297.142560 165.7
[M+HCOO]- 359.143501 181.1
[M+CH3COO]- 373.159151 203.3
[M+Na-2H]- 335.119966 176.1
[M]+ 314.14475142 168.2
[M]- 314.14584858 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.