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

92
Patents

248.15248 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 159.8
[M+Na]+ 271.14170 166.9
[M-H]- 247.14520 161.3
[M+NH4]+ 266.18630 175.9
[M+K]+ 287.11564 164.6
[M+H-H2O]+ 231.14974 152.4
[M+HCOO]- 293.15068 175.1
[M+CH3COO]- 307.16633 194.6
[M+Na-2H]- 269.12715 164.8
[M]+ 248.15193 160.1
[M]- 248.15303 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