CID 13736

Azure a

Structural Information

Molecular Formula
C14H14N3S
SMILES
C[N+](=C1C=CC2=NC3=C(C=C(C=C3)N)SC2=C1)C
InChI
InChI=1S/C14H13N3S/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12/h3-8,15H,1-2H3/p+1
InChIKey
HMYISFASHDWPMO-UHFFFAOYSA-O
Compound name
(7-aminophenothiazin-3-ylidene)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

119
References

8981
Patents

256.09085 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09813 148.7
[M+Na]+ 279.08007 165.4
[M+NH4]+ 274.12467 160.2
[M+K]+ 295.05401 156.1
[M-H]- 255.08357 156.0
[M+Na-2H]- 277.06552 158.0
[M]+ 256.09030 154.1
[M]- 256.09140 154.1
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