CID 68276

Azure b

Structural Information

Molecular Formula
C15H16N3S
SMILES
CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2
InChI
InChI=1S/C15H15N3S/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12/h4-9H,1-3H3/p+1
InChIKey
KKGWEPLBCABCDN-UHFFFAOYSA-O
Compound name
dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

97
References

3671
Patents

270.1065 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11378 155.6
[M+Na]+ 293.09572 164.5
[M-H]- 269.09922 161.5
[M+NH4]+ 288.14032 173.5
[M+K]+ 309.06966 154.0
[M+H-H2O]+ 253.10376 150.5
[M+HCOO]- 315.10470 173.6
[M+CH3COO]- 329.12035 199.1
[M+Na-2H]- 291.08117 165.2
[M]+ 270.10595 156.8
[M]- 270.10705 156.8
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