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

1
Patents

263.1634 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 164.6
[M+Na]+ 286.15262 171.7
[M-H]- 262.15612 165.8
[M+NH4]+ 281.19722 179.7
[M+K]+ 302.12656 169.1
[M+H-H2O]+ 246.16066 157.2
[M+HCOO]- 308.16160 180.2
[M+CH3COO]- 322.17725 200.3
[M+Na-2H]- 284.13807 168.3
[M]+ 263.16285 163.5
[M]- 263.16395 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