CID 10355702

679392-23-5

Structural Information

Molecular Formula
C13H17ClN2O2
SMILES
CC(C)(C)OC(=O)N1CCCC2=C1N=C(C=C2)Cl
InChI
InChI=1S/C13H17ClN2O2/c1-13(2,3)18-12(17)16-8-4-5-9-6-7-10(14)15-11(9)16/h6-7H,4-5,8H2,1-3H3
InChIKey
ORLCGJPXYZNJLV-UHFFFAOYSA-N
Compound name
tert-butyl 7-chloro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

268.09787 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10515 160.7
[M+Na]+ 291.08709 168.9
[M-H]- 267.09059 162.2
[M+NH4]+ 286.13169 176.8
[M+K]+ 307.06103 165.1
[M+H-H2O]+ 251.09513 153.9
[M+HCOO]- 313.09607 171.7
[M+CH3COO]- 327.11172 195.3
[M+Na-2H]- 289.07254 165.8
[M]+ 268.09732 162.6
[M]- 268.09842 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe