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 162.9
[M+Na]+ 295.10532 168.0
[M-H]- 271.10882 163.6
[M+NH4]+ 290.14992 169.6
[M+K]+ 311.07926 166.9
[M+H-H2O]+ 255.11336 158.1
[M+HCOO]- 317.11430 169.3
[M+CH3COO]- 331.12995 166.7
[M+Na-2H]- 293.09077 162.9
[M]+ 272.11555 161.7
[M]- 272.11665 161.7
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

patents stripe