CID 135680088

4-{[4-(4-oxo-3,4-dihydroquinazolin-2-yl)butanamido]methyl}benzoic acid

Structural Information

Molecular Formula
C20H19N3O4
SMILES
C1=CC=C2C(=C1)C(=O)NC(=N2)CCCC(=O)NCC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C20H19N3O4/c24-18(21-12-13-8-10-14(11-9-13)20(26)27)7-3-6-17-22-16-5-2-1-4-15(16)19(25)23-17/h1-2,4-5,8-11H,3,6-7,12H2,(H,21,24)(H,26,27)(H,22,23,25)
InChIKey
PCXFUATVLPSDLT-UHFFFAOYSA-N
Compound name
4-[[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.13754 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14482 185.9
[M+Na]+ 388.12676 198.2
[M+NH4]+ 383.17136 190.4
[M+K]+ 404.10070 192.2
[M-H]- 364.13026 187.5
[M+Na-2H]- 386.11221 191.5
[M]+ 365.13699 187.7
[M]- 365.13809 187.7
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

patents stripe