CID 71742557

755042-83-2

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCCC2=C1N=C(C=C2)CCC=O
InChI
InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-10-4-6-12-8-9-13(7-5-11-19)17-14(12)18/h8-9,11H,4-7,10H2,1-3H3
InChIKey
ZMOLHVSIRMEEPA-UHFFFAOYSA-N
Compound name
tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

290.16306 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.170336 170.7
[M+Na]+ 313.152278 177.0
[M-H]- 289.155784 171.7
[M+NH4]+ 308.196883 184.8
[M+K]+ 329.126218 174.2
[M+H-H2O]+ 273.160320 162.7
[M+HCOO]- 335.161261 185.6
[M+CH3COO]- 349.176911 201.9
[M+Na-2H]- 311.137726 174.7
[M]+ 290.16251142 172.3
[M]- 290.16360858 172.3
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