CID 262319

10-benzoyl-10h-phenothiazine

Structural Information

Molecular Formula
C19H13NOS
SMILES
C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C19H13NOS/c21-19(14-8-2-1-3-9-14)20-15-10-4-6-12-17(15)22-18-13-7-5-11-16(18)20/h1-13H
InChIKey
RVBAUHGQSLEOSR-UHFFFAOYSA-N
Compound name
phenothiazin-10-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

74
Patents

303.07178 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.07906 166.5
[M+Na]+ 326.06100 174.9
[M-H]- 302.06450 173.2
[M+NH4]+ 321.10560 182.3
[M+K]+ 342.03494 168.4
[M+H-H2O]+ 286.06904 157.9
[M+HCOO]- 348.06998 180.5
[M+CH3COO]- 362.08563 177.5
[M+Na-2H]- 324.04645 172.3
[M]+ 303.07123 166.9
[M]- 303.07233 166.9
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.