CID 80382

Disperse diazo black 3bf

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
2
Annotation Hits

0
References

65
Patents

256.13242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13970 159.8
[M+Na]+ 279.12164 172.1
[M+NH4]+ 274.16624 167.9
[M+K]+ 295.09558 165.0
[M-H]- 255.12514 167.0
[M+Na-2H]- 277.10709 168.8
[M]+ 256.13187 163.4
[M]- 256.13297 163.4
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