CID 135832076

34851-65-5

Structural Information

Molecular Formula
C21H20N2O3
SMILES
CCCCC1=CC=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O
InChI
InChI=1S/C21H20N2O3/c1-2-3-6-14-9-11-16(12-10-14)22-23-19-17-8-5-4-7-15(17)13-18(20(19)24)21(25)26/h4-5,7-13,24H,2-3,6H2,1H3,(H,25,26)
InChIKey
BTXDXUZDKVTFBC-UHFFFAOYSA-N
Compound name
4-[(4-butylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1474 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.154676 182.2
[M+Na]+ 371.136618 188.9
[M-H]- 347.140124 189.8
[M+NH4]+ 366.181223 195.6
[M+K]+ 387.110558 184.2
[M+H-H2O]+ 331.144660 172.9
[M+HCOO]- 393.145601 205.8
[M+CH3COO]- 407.161251 220.4
[M+Na-2H]- 369.122066 186.6
[M]+ 348.14685142 184.6
[M]- 348.14794858 184.6
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.