CID 16125770

Tert-butyl 7-formyl-1,2,3,4-tetrahydro-1,8-naphthyridine-1-carboxylate

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CC(C)(C)OC(=O)N1CCCC2=C1N=C(C=C2)C=O
InChI
InChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-8-4-5-10-6-7-11(9-17)15-12(10)16/h6-7,9H,4-5,8H2,1-3H3
InChIKey
QFQBLYXMPGIYCU-UHFFFAOYSA-N
Compound name
tert-butyl 7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

262.13174 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 161.4
[M+Na]+ 285.12096 168.7
[M-H]- 261.12446 162.9
[M+NH4]+ 280.16556 176.7
[M+K]+ 301.09490 166.3
[M+H-H2O]+ 245.12900 153.9
[M+HCOO]- 307.12994 177.1
[M+CH3COO]- 321.14559 195.9
[M+Na-2H]- 283.10641 166.6
[M]+ 262.13119 162.4
[M]- 262.13229 162.4
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