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 176.5
[M+Na]+ 373.07479 184.6
[M-H]- 349.07829 180.0
[M+NH4]+ 368.11939 191.5
[M+K]+ 389.04873 173.7
[M+H-H2O]+ 333.08283 174.4
[M+HCOO]- 395.08377 185.6
[M+CH3COO]- 409.09942 206.6
[M+Na-2H]- 371.06024 183.5
[M]+ 350.08502 179.6
[M]- 350.08612 179.6
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.