CID 66801

Toluylene blue

Structural Information

Molecular Formula
C15H19N4
SMILES
CC1=CC(=C(C=C1N)N)N=C2C=CC(=[N+](C)C)C=C2
InChI
InChI=1S/C15H18N4/c1-10-8-15(14(17)9-13(10)16)18-11-4-6-12(7-5-11)19(2)3/h4-9H,1-3H3,(H3,16,17)/p+1
InChIKey
HKHSSDWRZSCGQF-UHFFFAOYSA-O
Compound name
[4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

105
Patents

255.16096 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16824 159.2
[M+Na]+ 278.15018 172.8
[M+NH4]+ 273.19478 168.5
[M+K]+ 294.12412 166.4
[M-H]- 254.15368 168.0
[M+Na-2H]- 276.13563 168.3
[M]+ 255.16041 163.8
[M]- 255.16151 163.8
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

No patent data available for this compound.