CID 80382

Benzenamine, 4-((4-aminophenyl)azo)-2-methoxy-5-methyl-

Structural Information

Molecular Formula
C14H16N4O
SMILES
CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)N)OC)N
InChI
InChI=1S/C14H16N4O/c1-9-7-12(16)14(19-2)8-13(9)18-17-11-5-3-10(15)4-6-11/h3-8H,15-16H2,1-2H3
InChIKey
DBENZRUFCCLWPP-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)diazenyl]-2-methoxy-5-methylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

70
Patents

256.13242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.139696 158.1
[M+Na]+ 279.121638 166.2
[M-H]- 255.125144 167.5
[M+NH4]+ 274.166243 175.2
[M+K]+ 295.095578 163.4
[M+H-H2O]+ 239.129680 149.3
[M+HCOO]- 301.130621 188.6
[M+CH3COO]- 315.146271 211.2
[M+Na-2H]- 277.107086 163.6
[M]+ 256.13187142 158.3
[M]- 256.13296858 158.3
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

patents stripe