CID 4962334

852706-19-5

Structural Information

Molecular Formula
C19H16N2O4
SMILES
C1CC2(N(C(=O)C3=CC=CC=C3N2C1=O)CC4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C19H16N2O4/c22-16-10-11-19(18(24)25)20(12-13-6-2-1-3-7-13)17(23)14-8-4-5-9-15(14)21(16)19/h1-9H,10-12H2,(H,24,25)
InChIKey
MTCHGDJCSLRYII-UHFFFAOYSA-N
Compound name
4-benzyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.111 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.118276 177.6
[M+Na]+ 359.100218 185.8
[M-H]- 335.103724 182.1
[M+NH4]+ 354.144823 193.1
[M+K]+ 375.074158 180.4
[M+H-H2O]+ 319.108260 168.8
[M+HCOO]- 381.109201 192.2
[M+CH3COO]- 395.124851 187.5
[M+Na-2H]- 357.085666 180.1
[M]+ 336.11045142 176.4
[M]- 336.11154858 176.4
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

No patent data available for this compound.