CID 3023523

94094-68-5

Structural Information

Molecular Formula
C27H24ClN3O2
SMILES
CCCCC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=CC=C4Cl
InChI
InChI=1S/C27H24ClN3O2/c1-2-3-8-18-13-15-20(16-14-18)29-27(33)22-17-19-9-4-5-10-21(19)25(26(22)32)31-30-24-12-7-6-11-23(24)28/h4-7,9-17,32H,2-3,8H2,1H3,(H,29,33)
InChIKey
OKWOBPOJPZEQBW-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-4-[(2-chlorophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.1557 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.16298 212.9
[M+Na]+ 480.14492 219.6
[M-H]- 456.14842 224.1
[M+NH4]+ 475.18952 222.8
[M+K]+ 496.11886 212.2
[M+H-H2O]+ 440.15296 201.9
[M+HCOO]- 502.15390 233.2
[M+CH3COO]- 516.16955 243.3
[M+Na-2H]- 478.13037 216.1
[M]+ 457.15515 217.4
[M]- 457.15625 217.4
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.