CID 82284

10000-56-3

Structural Information

Molecular Formula
C23H25N3O4
SMILES
CCCCNC(=O)C1=CC2=CC=CC=C2C(=C1O)N=NC3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C23H25N3O4/c1-4-5-12-24-23(28)18-13-15-8-6-7-9-17(15)21(22(18)27)26-25-19-14-16(29-2)10-11-20(19)30-3/h6-11,13-14,27H,4-5,12H2,1-3H3,(H,24,28)
InChIKey
BYXVUFFSLNCCLH-UHFFFAOYSA-N
Compound name
N-butyl-4-[(2,5-dimethoxyphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1845 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.191776 197.9
[M+Na]+ 430.173718 203.8
[M-H]- 406.177224 206.7
[M+NH4]+ 425.218323 209.4
[M+K]+ 446.147658 200.7
[M+H-H2O]+ 390.181760 187.4
[M+HCOO]- 452.182701 223.3
[M+CH3COO]- 466.198351 236.7
[M+Na-2H]- 428.159166 201.6
[M]+ 407.18395142 203.8
[M]- 407.18504858 203.8
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.