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
1
Annotation Hits

14
References

1840
Patents

241.06737 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.074646 147.5
[M+Na]+ 264.056588 158.4
[M-H]- 240.060094 153.1
[M+NH4]+ 259.101193 166.9
[M+K]+ 280.030528 152.7
[M+H-H2O]+ 224.064630 140.3
[M+HCOO]- 286.065571 167.1
[M+CH3COO]- 300.081221 160.7
[M+Na-2H]- 262.042036 155.9
[M]+ 241.06682142 149.2
[M]- 241.06791858 149.2
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

patents stripe