CID 3077630

4-((2-furanyl((2-methyl-4-oxo-3(4h)-quinazolinyl)azo)methylene)amino)benzoic acid

Structural Information

Molecular Formula
C21H15N5O4
SMILES
CC1=NC2=CC=CC=C2C(=O)N1N=NC(=NC3=CC=C(C=C3)C(=O)O)C4=CC=CO4
InChI
InChI=1S/C21H15N5O4/c1-13-22-17-6-3-2-5-16(17)20(27)26(13)25-24-19(18-7-4-12-30-18)23-15-10-8-14(9-11-15)21(28)29/h2-12H,1H3,(H,28,29)
InChIKey
MDVPOHRKOBDVIS-UHFFFAOYSA-N
Compound name
4-[[furan-2-yl-[(2-methyl-4-oxoquinazolin-3-yl)diazenyl]methylidene]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1124 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.11968 192.0
[M+Na]+ 424.10162 206.4
[M+NH4]+ 419.14622 197.3
[M+K]+ 440.07556 201.9
[M-H]- 400.10512 199.5
[M+Na-2H]- 422.08707 201.3
[M]+ 401.11185 196.0
[M]- 401.11295 196.0
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.