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
4
Annotation Hits

119
References

9302
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 151.5
[M+Na]+ 279.08007 160.9
[M-H]- 255.08357 157.1
[M+NH4]+ 274.12467 169.7
[M+K]+ 295.05401 150.3
[M+H-H2O]+ 239.08811 146.8
[M+HCOO]- 301.08905 169.3
[M+CH3COO]- 315.10470 195.5
[M+Na-2H]- 277.06552 160.6
[M]+ 256.09030 151.5
[M]- 256.09140 151.5
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