CID 693080

4-(quinazolin-4-ylamino)benzoic acid

Structural Information

Molecular Formula
C15H11N3O2
SMILES
C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C15H11N3O2/c19-15(20)10-5-7-11(8-6-10)18-14-12-3-1-2-4-13(12)16-9-17-14/h1-9H,(H,19,20)(H,16,17,18)
InChIKey
SGTLIIKTRIMNPW-UHFFFAOYSA-N
Compound name
4-(quinazolin-4-ylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

265.0851 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09238 159.0
[M+Na]+ 288.07432 173.9
[M+NH4]+ 283.11892 166.7
[M+K]+ 304.04826 166.7
[M-H]- 264.07782 163.0
[M+Na-2H]- 286.05977 168.2
[M]+ 265.08455 162.2
[M]- 265.08565 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe