CID 7130615

863669-62-9

Structural Information

Molecular Formula
C15H16N2O3
SMILES
C1CCCN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)O)CC1
InChI
InChI=1S/C15H16N2O3/c18-14-11-7-6-10(15(19)20)9-12(11)16-13-5-3-1-2-4-8-17(13)14/h6-7,9H,1-5,8H2,(H,19,20)
InChIKey
PNADNHKICORHHQ-UHFFFAOYSA-N
Compound name
13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

272.1161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 162.1
[M+Na]+ 295.10532 166.1
[M+NH4]+ 290.14992 164.4
[M+K]+ 311.07926 164.7
[M-H]- 271.10882 162.4
[M+Na-2H]- 293.09077 163.9
[M]+ 272.11555 162.6
[M]- 272.11665 162.6
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

patents stripe