CID 109050

Einecs 262-577-7

Structural Information

Molecular Formula
C27H25N3O4
SMILES
CCC1=CC=CC=C1N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=C(C=CC(=C4)OC)OC)O
InChI
InChI=1S/C27H25N3O4/c1-4-17-9-6-8-12-22(17)29-30-25-20-11-7-5-10-18(20)15-21(26(25)31)27(32)28-23-16-19(33-2)13-14-24(23)34-3/h5-16,31H,4H2,1-3H3,(H,28,32)
InChIKey
TYPLAIODXBMXQL-UHFFFAOYSA-N
Compound name
N-(2,5-dimethoxyphenyl)-4-[(2-ethylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

455.1845 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.19178 211.4
[M+Na]+ 478.17372 217.4
[M-H]- 454.17722 223.2
[M+NH4]+ 473.21832 220.3
[M+K]+ 494.14766 213.3
[M+H-H2O]+ 438.18176 199.2
[M+HCOO]- 500.18270 236.3
[M+CH3COO]- 514.19835 245.8
[M+Na-2H]- 476.15917 214.6
[M]+ 455.18395 216.1
[M]- 455.18505 216.1
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.