CID 175098

Einecs 276-751-5

Structural Information

Molecular Formula
C26H19N5O5
SMILES
COC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC5=C(C=C4)NC(=O)NC5=O
InChI
InChI=1S/C26H19N5O5/c1-36-21-9-5-4-8-20(21)27-25(34)18-12-14-6-2-3-7-16(14)22(23(18)32)31-30-15-10-11-19-17(13-15)24(33)29-26(35)28-19/h2-13,32H,1H3,(H,27,34)(H2,28,29,33,35)
InChIKey
QQGVOSBHYLLPEI-UHFFFAOYSA-N
Compound name
4-[(2,4-dioxo-1H-quinazolin-6-yl)diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.1386 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.14588 211.5
[M+Na]+ 504.12782 219.9
[M-H]- 480.13132 220.1
[M+NH4]+ 499.17242 215.9
[M+K]+ 520.10176 213.5
[M+H-H2O]+ 464.13586 198.5
[M+HCOO]- 526.13680 232.1
[M+CH3COO]- 540.15245 219.2
[M+Na-2H]- 502.11327 218.9
[M]+ 481.13805 213.9
[M]- 481.13915 213.9
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.