CID 110130

Einecs 269-981-2

Structural Information

Molecular Formula
C24H18N4O4
SMILES
CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C24H18N4O4/c1-15-8-2-5-11-19(15)25-24(30)18-14-16-9-3-4-10-17(16)22(23(18)29)27-26-20-12-6-7-13-21(20)28(31)32/h2-14,29H,1H3,(H,25,30)
InChIKey
FEPNIDWCPNLQJM-UHFFFAOYSA-N
Compound name
3-hydroxy-N-(2-methylphenyl)-4-[(2-nitrophenyl)diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.1328 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.14008 198.1
[M+Na]+ 449.12202 202.2
[M-H]- 425.12552 209.5
[M+NH4]+ 444.16662 206.6
[M+K]+ 465.09596 193.8
[M+H-H2O]+ 409.13006 190.6
[M+HCOO]- 471.13100 224.2
[M+CH3COO]- 485.14665 232.4
[M+Na-2H]- 447.10747 205.3
[M]+ 426.13225 197.3
[M]- 426.13335 197.3
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.