CID 25417823

Tert-butyl 7-(4-aminobutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine-1-carboxylate

Structural Information

Molecular Formula
C17H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCCC2=C1N=C(C=C2)CCCCN
InChI
InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-12-6-7-13-9-10-14(19-15(13)20)8-4-5-11-18/h9-10H,4-8,11-12,18H2,1-3H3
InChIKey
UUFXZJQRVTXTHX-UHFFFAOYSA-N
Compound name
tert-butyl 7-(4-aminobutyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.21033 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.217606 177.9
[M+Na]+ 328.199548 182.8
[M-H]- 304.203054 178.2
[M+NH4]+ 323.244153 191.0
[M+K]+ 344.173488 179.4
[M+H-H2O]+ 288.207590 169.6
[M+HCOO]- 350.208531 192.5
[M+CH3COO]- 364.224181 208.0
[M+Na-2H]- 326.184996 180.8
[M]+ 305.20978142 177.5
[M]- 305.21087858 177.5
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.