CID 16226704

863669-58-3

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CC(C)CN1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)O
InChI
InChI=1S/C16H18N2O4/c1-10(2)9-17-14(20)11-5-3-4-6-12(11)18-13(19)7-8-16(17,18)15(21)22/h3-6,10H,7-9H2,1-2H3,(H,21,22)
InChIKey
BXPACRLYOPBGRM-UHFFFAOYSA-N
Compound name
4-(2-methylpropyl)-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

302.12665 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 168.8
[M+Na]+ 325.11587 176.8
[M-H]- 301.11937 170.1
[M+NH4]+ 320.16047 186.4
[M+K]+ 341.08981 173.1
[M+H-H2O]+ 285.12391 162.3
[M+HCOO]- 347.12485 182.1
[M+CH3COO]- 361.14050 203.4
[M+Na-2H]- 323.10132 169.9
[M]+ 302.12610 168.7
[M]- 302.12720 168.7
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

No patent data available for this compound.