CID 22319472

445492-19-3

Structural Information

Molecular Formula
C15H20N2O4
SMILES
CC(C)(C)OC(=O)N1CCCC2=C1N=C(C=C2)CC(=O)O
InChI
InChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)17-8-4-5-10-6-7-11(9-12(18)19)16-13(10)17/h6-7H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKey
KCZSLOVKEZQJNT-UHFFFAOYSA-N
Compound name
2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

292.1423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14958 168.6
[M+Na]+ 315.13152 174.4
[M-H]- 291.13502 168.5
[M+NH4]+ 310.17612 181.7
[M+K]+ 331.10546 172.3
[M+H-H2O]+ 275.13956 161.2
[M+HCOO]- 337.14050 181.6
[M+CH3COO]- 351.15615 199.5
[M+Na-2H]- 313.11697 171.8
[M]+ 292.14175 168.9
[M]- 292.14285 168.9
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