CID 459011

63185-29-5

Structural Information

Molecular Formula
C18H12N2O3S
SMILES
C1=CC=C(C=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)C4=CC=CC=C42
InChI
InChI=1S/C18H12N2O3S/c21-20(22)14-10-11-16-18(12-14)24(23)17-9-5-4-8-15(17)19(16)13-6-2-1-3-7-13/h1-12H
InChIKey
CRVCEGVCAVYBFH-UHFFFAOYSA-N
Compound name
3-nitro-10-phenylphenothiazine 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.05685 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06413 168.8
[M+Na]+ 359.04607 186.4
[M+NH4]+ 354.09067 178.6
[M+K]+ 375.02001 178.0
[M-H]- 335.04957 176.1
[M+Na-2H]- 357.03152 178.2
[M]+ 336.05630 174.0
[M]- 336.05740 174.0
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.