CID 5278834

Schembl13097884

Structural Information

Molecular Formula
C13H11N3S
SMILES
CC1=CC2=NC3=C(C=C(C=C3)N)SC2=CC1=N
InChI
InChI=1S/C13H11N3S/c1-7-4-11-13(6-9(7)15)17-12-5-8(14)2-3-10(12)16-11/h2-6,15H,14H2,1H3
InChIKey
OXNMKPGQNOOXOY-UHFFFAOYSA-N
Compound name
7-imino-8-methylphenothiazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

241.06737 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07465 147.7
[M+Na]+ 264.05659 159.0
[M-H]- 240.06009 152.3
[M+NH4]+ 259.10119 166.6
[M+K]+ 280.03053 152.5
[M+H-H2O]+ 224.06463 141.1
[M+HCOO]- 286.06557 165.8
[M+CH3COO]- 300.08122 160.6
[M+Na-2H]- 262.04204 155.1
[M]+ 241.06682 148.2
[M]- 241.06792 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.