CID 21127175

150111-59-4

Structural Information

Molecular Formula
C17H19ClN2O2S
SMILES
C[N+](C)(CCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl)[O-]
InChI
InChI=1S/C17H19ClN2O2S/c1-20(2,21)11-5-10-19-14-6-3-4-7-16(14)23(22)17-9-8-13(18)12-15(17)19/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKey
OJDQKXZCHZEEAO-UHFFFAOYSA-N
Compound name
3-(2-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.08557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09285 175.8
[M+Na]+ 373.07479 192.2
[M+NH4]+ 368.11939 185.8
[M+K]+ 389.04873 183.1
[M-H]- 349.07829 180.8
[M+Na-2H]- 371.06024 182.2
[M]+ 350.08502 180.6
[M]- 350.08612 180.6
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

No patent data available for this compound.