CID 132353702

2138035-81-9

Structural Information

Molecular Formula
C13H17BrN2O3
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C(=O)C(=CN2)Br
InChI
InChI=1S/C13H17BrN2O3/c1-13(2,3)19-12(18)16-5-4-10-8(7-16)11(17)9(14)6-15-10/h6H,4-5,7H2,1-3H3,(H,15,17)
InChIKey
SNCKVZLNPVTOJP-UHFFFAOYSA-N
Compound name
tert-butyl 3-bromo-4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.04224 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.04952 166.7
[M+Na]+ 351.03146 177.4
[M-H]- 327.03496 169.9
[M+NH4]+ 346.07606 182.8
[M+K]+ 367.00540 166.0
[M+H-H2O]+ 311.03950 166.1
[M+HCOO]- 373.04044 179.1
[M+CH3COO]- 387.05609 201.0
[M+Na-2H]- 349.01691 172.2
[M]+ 328.04169 184.5
[M]- 328.04279 184.5
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

No patent data available for this compound.