CID 67469

(12h)-benzo(a)phenothiazine

Structural Information

Molecular Formula
C16H11NS
SMILES
C1=CC=C2C(=C1)C=CC3=C2NC4=CC=CC=C4S3
InChI
InChI=1S/C16H11NS/c1-2-6-12-11(5-1)9-10-15-16(12)17-13-7-3-4-8-14(13)18-15/h1-10,17H
InChIKey
PGIGZWJIJSINOD-UHFFFAOYSA-N
Compound name
12H-benzo[a]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

1121
Patents

249.06122 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06850 148.4
[M+Na]+ 272.05044 157.9
[M-H]- 248.05394 151.8
[M+NH4]+ 267.09504 167.3
[M+K]+ 288.02438 150.7
[M+H-H2O]+ 232.05848 141.4
[M+HCOO]- 294.05942 161.1
[M+CH3COO]- 308.07507 160.1
[M+Na-2H]- 270.03589 157.3
[M]+ 249.06067 147.6
[M]- 249.06177 147.6
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