CID 76304

2972-58-9

Structural Information

Molecular Formula
C25H20N4O3
SMILES
CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C25H20N4O3/c1-15-6-2-5-9-21(15)27-25(32)20-14-17-7-3-4-8-19(17)22(23(20)30)29-28-18-12-10-16(11-13-18)24(26)31/h2-14,30H,1H3,(H2,26,31)(H,27,32)
InChIKey
HDMHBRVDJGULBL-UHFFFAOYSA-N
Compound name
4-[(4-carbamoylphenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.15353 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.16081 201.1
[M+Na]+ 447.14275 206.6
[M-H]- 423.14625 212.5
[M+NH4]+ 442.18735 210.4
[M+K]+ 463.11669 202.0
[M+H-H2O]+ 407.15079 189.7
[M+HCOO]- 469.15173 226.2
[M+CH3COO]- 483.16738 241.7
[M+Na-2H]- 445.12820 204.8
[M]+ 424.15298 200.8
[M]- 424.15408 200.8
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.