CID 77231349

1211581-54-2

Structural Information

Molecular Formula
C13H17ClN2O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(C=C2)Cl
InChI
InChI=1S/C13H17ClN2O2/c1-13(2,3)18-12(17)16-7-6-9-4-5-11(14)15-10(9)8-16/h4-5H,6-8H2,1-3H3
InChIKey
IVFOIKREOFXIDR-UHFFFAOYSA-N
Compound name
tert-butyl 2-chloro-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

268.09787 Da
Monoisotopic Mass

2.6
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

No literature data available for this compound.

Patent stripe

patents stripe