CID 71304655

Tert-butyl 3-amino-8-methyl-7,8-dihydro-1,6-naphthyridine-6(5h)-carboxylate

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CC1CN(CC2=C1N=CC(=C2)N)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H21N3O2/c1-9-7-17(13(18)19-14(2,3)4)8-10-5-11(15)6-16-12(9)10/h5-6,9H,7-8,15H2,1-4H3
InChIKey
LILIQFNXYMJNJN-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-8-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

263.1634 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.170676 164.6
[M+Na]+ 286.152618 171.7
[M-H]- 262.156124 165.8
[M+NH4]+ 281.197223 179.7
[M+K]+ 302.126558 169.1
[M+H-H2O]+ 246.160660 157.2
[M+HCOO]- 308.161601 180.2
[M+CH3COO]- 322.177251 200.3
[M+Na-2H]- 284.138066 168.3
[M]+ 263.16285142 163.5
[M]- 263.16394858 163.5
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

patents stripe