CID 25417831

886362-45-4

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

16
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 171.6
[M+Na]+ 329.14718 181.2
[M+NH4]+ 324.19178 176.5
[M+K]+ 345.12112 177.5
[M-H]- 305.15068 169.9
[M+Na-2H]- 327.13263 173.6
[M]+ 306.15741 172.1
[M]- 306.15851 172.1
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