CID 459009

10-(4-nitrophenyl)phenothiazine

Structural Information

Molecular Formula
C18H12N2O2S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C18H12N2O2S/c21-20(22)14-11-9-13(10-12-14)19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1-12H
InChIKey
LCUPSQFVYMVAET-UHFFFAOYSA-N
Compound name
10-(4-nitrophenyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

320.06195 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06923 167.6
[M+Na]+ 343.05117 174.5
[M-H]- 319.05467 174.3
[M+NH4]+ 338.09577 181.5
[M+K]+ 359.02511 164.3
[M+H-H2O]+ 303.05921 162.8
[M+HCOO]- 365.06015 183.1
[M+CH3COO]- 379.07580 201.4
[M+Na-2H]- 341.03662 175.8
[M]+ 320.06140 166.2
[M]- 320.06250 166.2
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.