CID 25417831

8-n-boc-5,6,7,8-tetrahydro-1,8-naphthyridin-2-propionic acid

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCCC2=C1N=C(C=C2)CCC(=O)O
InChI
InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-10-4-5-11-6-7-12(17-14(11)18)8-9-13(19)20/h6-7H,4-5,8-10H2,1-3H3,(H,19,20)
InChIKey
SNBBUGPPZLKWMD-UHFFFAOYSA-N
Compound name
3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

306.15796 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16524 173.2
[M+Na]+ 329.14718 178.6
[M-H]- 305.15068 172.9
[M+NH4]+ 324.19178 185.7
[M+K]+ 345.12112 176.2
[M+H-H2O]+ 289.15522 165.6
[M+HCOO]- 351.15616 185.8
[M+CH3COO]- 365.17181 202.5
[M+Na-2H]- 327.13263 175.9
[M]+ 306.15741 173.8
[M]- 306.15851 173.8
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