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

7
Patents

272.1161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 162.9
[M+Na]+ 295.105318 168.0
[M-H]- 271.108824 163.6
[M+NH4]+ 290.149923 169.6
[M+K]+ 311.079258 166.9
[M+H-H2O]+ 255.113360 158.1
[M+HCOO]- 317.114301 169.3
[M+CH3COO]- 331.129951 166.7
[M+Na-2H]- 293.090766 162.9
[M]+ 272.11555142 161.7
[M]- 272.11664858 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