CID 150085

Ccris 3860

Structural Information

Molecular Formula
C14H16N4
SMILES
CC1=CC=CC=C1N=NC2=C(C(=C(C=C2)N)C)N
InChI
InChI=1S/C14H16N4/c1-9-5-3-4-6-12(9)17-18-13-8-7-11(15)10(2)14(13)16/h3-8H,15-16H2,1-2H3
InChIKey
MXALHDCUOQFPNY-UHFFFAOYSA-N
Compound name
2-methyl-4-[(2-methylphenyl)diazenyl]benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1375 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.14478 155.1
[M+Na]+ 263.12672 163.4
[M-H]- 239.13022 164.6
[M+NH4]+ 258.17132 173.0
[M+K]+ 279.10066 160.0
[M+H-H2O]+ 223.13476 146.7
[M+HCOO]- 285.13570 185.5
[M+CH3COO]- 299.15135 209.0
[M+Na-2H]- 261.11217 160.6
[M]+ 240.13695 154.0
[M]- 240.13805 154.0
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.