CID 66801

(4-((4,6-diamino-m-tolyl)imino)cyclohexa-2,5-dien-1-ylidene)dimethylammonium chloride

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

124
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 160.2
[M+Na]+ 278.15018 166.8
[M-H]- 254.15368 169.3
[M+NH4]+ 273.19478 177.0
[M+K]+ 294.12412 157.8
[M+H-H2O]+ 238.15822 154.6
[M+HCOO]- 300.15916 187.6
[M+CH3COO]- 314.17481 204.4
[M+Na-2H]- 276.13563 165.2
[M]+ 255.16041 155.3
[M]- 255.16151 155.3
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.