CID 237064

12h-benzo[a]phenothiazine, 9-methyl-

Structural Information

Molecular Formula
C17H13NS
SMILES
CC1=CC2=C(C=C1)NC3=C(S2)C=CC4=CC=CC=C43
InChI
InChI=1S/C17H13NS/c1-11-6-8-14-16(10-11)19-15-9-7-12-4-2-3-5-13(12)17(15)18-14/h2-10,18H,1H3
InChIKey
YDXJUSPQEMNEEY-UHFFFAOYSA-N
Compound name
9-methyl-12H-benzo[a]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.07687 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08415 153.6
[M+Na]+ 286.06609 163.5
[M-H]- 262.06959 157.2
[M+NH4]+ 281.11069 172.3
[M+K]+ 302.04003 156.2
[M+H-H2O]+ 246.07413 146.6
[M+HCOO]- 308.07507 165.9
[M+CH3COO]- 322.09072 165.2
[M+Na-2H]- 284.05154 161.3
[M]+ 263.07632 153.6
[M]- 263.07742 153.6
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

No patent data available for this compound.