CID 3086020

75199-14-3

Structural Information

Molecular Formula
C27H25N3O3
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)C)OC)C
InChI
InChI=1S/C27H25N3O3/c1-16-9-11-22(18(3)13-16)28-27(32)21-15-19-7-5-6-8-20(19)25(26(21)31)30-29-23-14-17(2)10-12-24(23)33-4/h5-15,31H,1-4H3,(H,28,32)
InChIKey
JKANJLOJMKIOQK-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylphenyl)-3-hydroxy-4-[(2-methoxy-5-methylphenyl)diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.1896 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.19688 209.7
[M+Na]+ 462.17882 216.9
[M-H]- 438.18232 222.0
[M+NH4]+ 457.22342 219.8
[M+K]+ 478.15276 212.2
[M+H-H2O]+ 422.18686 198.0
[M+HCOO]- 484.18780 234.4
[M+CH3COO]- 498.20345 244.9
[M+Na-2H]- 460.16427 212.0
[M]+ 439.18905 213.6
[M]- 439.19015 213.6
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.