CID 16226705

863669-61-8

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CCCCN1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)O
InChI
InChI=1S/C16H18N2O4/c1-2-3-10-17-14(20)11-6-4-5-7-12(11)18-13(19)8-9-16(17,18)15(21)22/h4-7H,2-3,8-10H2,1H3,(H,21,22)
InChIKey
HSFOCLWWAFICIJ-UHFFFAOYSA-N
Compound name
4-butyl-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

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 170.6
[M+Na]+ 325.11587 180.7
[M+NH4]+ 320.16047 178.0
[M+K]+ 341.08981 175.4
[M-H]- 301.11937 169.6
[M+Na-2H]- 323.10132 172.5
[M]+ 302.12610 171.5
[M]- 302.12720 171.5
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.