CID 279441

6-methyl-5h-benzo(a)phenothiazin-5-one

Structural Information

Molecular Formula
C17H11NOS
SMILES
CC1=C2C(=NC3=CC=CC=C3S2)C4=CC=CC=C4C1=O
InChI
InChI=1S/C17H11NOS/c1-10-16(19)12-7-3-2-6-11(12)15-17(10)20-14-9-5-4-8-13(14)18-15/h2-9H,1H3
InChIKey
RTPGWOYHPVTPOX-UHFFFAOYSA-N
Compound name
6-methylbenzo[a]phenothiazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

277.05612 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.06340 157.4
[M+Na]+ 300.04534 170.7
[M-H]- 276.04884 163.6
[M+NH4]+ 295.08994 176.5
[M+K]+ 316.01928 163.8
[M+H-H2O]+ 260.05338 149.9
[M+HCOO]- 322.05432 174.2
[M+CH3COO]- 336.06997 170.7
[M+Na-2H]- 298.03079 166.5
[M]+ 277.05557 162.9
[M]- 277.05667 162.9
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