CID 105276

Benzenamine, 4-((2,3-dimethylphenyl)azo)-2,3-dimethyl-, monohydrochloride

Structural Information

Molecular Formula
C16H19N3
SMILES
CC1=C(C(=CC=C1)N=NC2=C(C(=C(C=C2)N)C)C)C
InChI
InChI=1S/C16H19N3/c1-10-6-5-7-15(11(10)2)18-19-16-9-8-14(17)12(3)13(16)4/h5-9H,17H2,1-4H3
InChIKey
KYCNSLAIMRPJIZ-UHFFFAOYSA-N
Compound name
4-[(2,3-dimethylphenyl)diazenyl]-2,3-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1579 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16518 160.2
[M+Na]+ 276.14712 169.4
[M-H]- 252.15062 170.3
[M+NH4]+ 271.19172 178.6
[M+K]+ 292.12106 165.9
[M+H-H2O]+ 236.15516 152.0
[M+HCOO]- 298.15610 189.5
[M+CH3COO]- 312.17175 211.7
[M+Na-2H]- 274.13257 164.5
[M]+ 253.15735 161.9
[M]- 253.15845 161.9
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.