CID 17750173

243641-37-4

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC1=NC2=C(CCCN2C(=O)OC(C)(C)C)C=C1
InChI
InChI=1S/C14H20N2O2/c1-10-7-8-11-6-5-9-16(12(11)15-10)13(17)18-14(2,3)4/h7-8H,5-6,9H2,1-4H3
InChIKey
CHWMFCCGEWQABK-UHFFFAOYSA-N
Compound name
tert-butyl 7-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

248.15248 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 159.8
[M+Na]+ 271.141698 166.9
[M-H]- 247.145204 161.3
[M+NH4]+ 266.186303 175.9
[M+K]+ 287.115638 164.6
[M+H-H2O]+ 231.149740 152.4
[M+HCOO]- 293.150681 175.1
[M+CH3COO]- 307.166331 194.6
[M+Na-2H]- 269.127146 164.8
[M]+ 248.15193142 160.1
[M]- 248.15302858 160.1
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