CID 3077627

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

Structural Information

Molecular Formula
C23H17N5O4
SMILES
CC1=NC2=CC=CC=C2C(=O)N1N=NC(=NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4O
InChI
InChI=1S/C23H17N5O4/c1-14-24-19-8-4-2-6-17(19)22(30)28(14)27-26-21(18-7-3-5-9-20(18)29)25-16-12-10-15(11-13-16)23(31)32/h2-13,29H,1H3,(H,31,32)
InChIKey
YWLSSPVTZMANDQ-UHFFFAOYSA-N
Compound name
4-[[(2-hydroxyphenyl)-[(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

427.12805 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.13533 200.2
[M+Na]+ 450.11727 207.4
[M-H]- 426.12077 210.0
[M+NH4]+ 445.16187 207.2
[M+K]+ 466.09121 202.6
[M+H-H2O]+ 410.12531 187.6
[M+HCOO]- 472.12625 223.3
[M+CH3COO]- 486.14190 237.4
[M+Na-2H]- 448.10272 206.0
[M]+ 427.12750 202.3
[M]- 427.12860 202.3
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.