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

16
Patents

290.16306 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 170.7
[M+Na]+ 313.15228 177.0
[M-H]- 289.15578 171.7
[M+NH4]+ 308.19688 184.8
[M+K]+ 329.12622 174.2
[M+H-H2O]+ 273.16032 162.7
[M+HCOO]- 335.16126 185.6
[M+CH3COO]- 349.17691 201.9
[M+Na-2H]- 311.13773 174.7
[M]+ 290.16251 172.3
[M]- 290.16361 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