CID 37484

4-amino-2,3-dimethylazobenzene

Structural Information

Molecular Formula
C14H15N3
SMILES
CC1=C(C=CC(=C1C)N=NC2=CC=CC=C2)N
InChI
InChI=1S/C14H15N3/c1-10-11(2)14(9-8-13(10)15)17-16-12-6-4-3-5-7-12/h3-9H,15H2,1-2H3
InChIKey
ZYVVPQKFJIHXJE-UHFFFAOYSA-N
Compound name
2,3-dimethyl-4-phenyldiazenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

225.1266 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.133876 150.5
[M+Na]+ 248.115818 158.7
[M-H]- 224.119324 160.1
[M+NH4]+ 243.160423 169.3
[M+K]+ 264.089758 155.5
[M+H-H2O]+ 208.123860 142.2
[M+HCOO]- 270.124801 180.5
[M+CH3COO]- 284.140451 203.2
[M+Na-2H]- 246.101266 157.4
[M]+ 225.12605142 150.6
[M]- 225.12714858 150.6
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