CID 74725

10h-phenothiazin-3-ol

Structural Information

Molecular Formula
C12H9NOS
SMILES
C1=CC=C2C(=C1)NC3=C(S2)C=C(C=C3)O
InChI
InChI=1S/C12H9NOS/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13-10/h1-7,13-14H
InChIKey
JAMWHXUWMDVHJF-UHFFFAOYSA-N
Compound name
10H-phenothiazin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

286
Patents

215.04048 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04776 140.1
[M+Na]+ 238.02970 149.5
[M-H]- 214.03320 141.8
[M+NH4]+ 233.07430 159.0
[M+K]+ 254.00364 143.5
[M+H-H2O]+ 198.03774 134.4
[M+HCOO]- 260.03868 153.1
[M+CH3COO]- 274.05433 152.2
[M+Na-2H]- 236.01515 147.6
[M]+ 215.03993 138.9
[M]- 215.04103 138.9
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