CID 3011792

Benzo[a]phenothiazin-5-one

Structural Information

Molecular Formula
C16H9NOS
SMILES
C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=CC=CC=C4S3
InChI
InChI=1S/C16H9NOS/c18-13-9-15-16(11-6-2-1-5-10(11)13)17-12-7-3-4-8-14(12)19-15/h1-9H
InChIKey
SFHDZDHMZPOVQH-UHFFFAOYSA-N
Compound name
benzo[a]phenothiazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

263.0405 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.04778 152.3
[M+Na]+ 286.02972 165.2
[M-H]- 262.03322 158.3
[M+NH4]+ 281.07432 171.7
[M+K]+ 302.00366 158.5
[M+H-H2O]+ 246.03776 144.9
[M+HCOO]- 308.03870 169.5
[M+CH3COO]- 322.05435 165.8
[M+Na-2H]- 284.01517 162.7
[M]+ 263.03995 157.1
[M]- 263.04105 157.1
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