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

72
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

literature stripe

Patent stripe

patents stripe