CID 100814

523-67-1

Structural Information

Molecular Formula
C25H21N3O3
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=CC=C4O)C
InChI
InChI=1S/C25H21N3O3/c1-15-11-12-20(16(2)13-15)26-25(31)19-14-17-7-3-4-8-18(17)23(24(19)30)28-27-21-9-5-6-10-22(21)29/h3-14,29-30H,1-2H3,(H,26,31)
InChIKey
JSSROCUNTZVPCI-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylphenyl)-3-hydroxy-4-[(2-hydroxyphenyl)diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

171
Patents

411.1583 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.16558 199.3
[M+Na]+ 434.14752 206.3
[M-H]- 410.15102 210.3
[M+NH4]+ 429.19212 209.6
[M+K]+ 450.12146 201.0
[M+H-H2O]+ 394.15556 188.4
[M+HCOO]- 456.15650 223.4
[M+CH3COO]- 470.17215 235.7
[M+Na-2H]- 432.13297 203.2
[M]+ 411.15775 200.5
[M]- 411.15885 200.5
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