CID 103147

Benzoic acid, 2-((3-(((2-ethoxyphenyl)amino)carbonyl)-2-hydroxy-1-naphthalenyl)azo)-, butyl ester

Structural Information

Molecular Formula
C30H29N3O5
SMILES
CCCCOC(=O)C1=CC=CC=C1N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4OCC)O
InChI
InChI=1S/C30H29N3O5/c1-3-5-18-38-30(36)22-14-8-9-15-24(22)32-33-27-21-13-7-6-12-20(21)19-23(28(27)34)29(35)31-25-16-10-11-17-26(25)37-4-2/h6-17,19,34H,3-5,18H2,1-2H3,(H,31,35)
InChIKey
YNXQJRAPEYVIRV-UHFFFAOYSA-N
Compound name
butyl 2-[[3-[(2-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.21072 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.21800 225.3
[M+Na]+ 534.19994 228.6
[M-H]- 510.20344 236.1
[M+NH4]+ 529.24454 231.2
[M+K]+ 550.17388 225.0
[M+H-H2O]+ 494.20798 212.4
[M+HCOO]- 556.20892 248.4
[M+CH3COO]- 570.22457 254.9
[M+Na-2H]- 532.18539 226.9
[M]+ 511.21017 230.5
[M]- 511.21127 230.5
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.