CID 447682

(5-oxo-5,6-dihydro-indolo[1,2-a]quinazolin-7-yl)-acetic acid

Structural Information

Molecular Formula
C17H12N2O3
SMILES
C1=CC=C2C(=C1)C(=C3N2C4=CC=CC=C4C(=O)N3)CC(=O)O
InChI
InChI=1S/C17H12N2O3/c20-15(21)9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)17(22)18-16(12)19/h1-8H,9H2,(H,18,22)(H,20,21)
InChIKey
INSBKYCYLCEBOD-UHFFFAOYSA-N
Compound name
2-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

95
Patents

292.08478 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09206 163.9
[M+Na]+ 315.07400 176.3
[M-H]- 291.07750 166.7
[M+NH4]+ 310.11860 180.4
[M+K]+ 331.04794 169.3
[M+H-H2O]+ 275.08204 156.3
[M+HCOO]- 337.08298 182.8
[M+CH3COO]- 351.09863 175.9
[M+Na-2H]- 313.05945 171.2
[M]+ 292.08423 167.6
[M]- 292.08533 167.6
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