CID 65044

3-imino-3h-phenothiazin-7-amine

Structural Information

Molecular Formula
C12H9N3S
SMILES
C1=CC2=C(C=C1N)SC3=CC(=N)C=CC3=N2
InChI
InChI=1S/C12H9N3S/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6,13H,14H2
InChIKey
SHHZUHVSERGLNW-UHFFFAOYSA-N
Compound name
7-iminophenothiazin-3-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

372
References

111916
Patents

227.05171 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05899 142.4
[M+Na]+ 250.04093 153.2
[M-H]- 226.04443 146.7
[M+NH4]+ 245.08553 161.5
[M+K]+ 266.01487 146.9
[M+H-H2O]+ 210.04897 135.8
[M+HCOO]- 272.04991 160.9
[M+CH3COO]- 286.06556 155.4
[M+Na-2H]- 248.02638 151.1
[M]+ 227.05116 142.1
[M]- 227.05226 142.1
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