CID 68278

Azure c

Structural Information

Molecular Formula

C₁₃H₁₁N₃S

SMILES

CN=C1C=CC2=NC3=C(C=C(C=C3)N)SC2=C1

InChI

InChI=1S/C13H11N3S/c1-15-9-3-5-11-13(7-9)17-12-6-8(14)2-4-10(12)16-11/h2-7H,14H2,1H3

InChIKey

QFYWEMZCVYRHJE-UHFFFAOYSA-N

Compound name

7-methyliminophenothiazin-3-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 1835
Patents: 241.06737 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	242.07465	147.5
[M+Na]+	264.05659	158.4
[M-H]-	240.06009	153.1
[M+NH4]+	259.10119	166.9
[M+K]+	280.03053	152.7
[M+H-H2O]+	224.06463	140.3
[M+HCOO]-	286.06557	167.1
[M+CH3COO]-	300.08122	160.7
[M+Na-2H]-	262.04204	155.9
[M]+	241.06682	149.2
[M]-	241.06792	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe