CID 95203

10-phenylphenothiazine

Structural Information

Molecular Formula
C18H13NS
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C18H13NS/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13H
InChIKey
WSEFYHOJDVVORU-UHFFFAOYSA-N
Compound name
10-phenylphenothiazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

947
Patents

275.07687 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08415 158.5
[M+Na]+ 298.06609 167.7
[M-H]- 274.06959 165.4
[M+NH4]+ 293.11069 175.7
[M+K]+ 314.04003 160.8
[M+H-H2O]+ 258.07413 150.1
[M+HCOO]- 320.07507 173.6
[M+CH3COO]- 334.09072 170.2
[M+Na-2H]- 296.05154 165.8
[M]+ 275.07632 158.6
[M]- 275.07742 158.6
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

patents stripe