CID 25417828

886362-44-3

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CC(C)(C)OC(=O)N1CCCC2=C1N=C(C=C2)CCCN
InChI
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-11-5-6-12-8-9-13(7-4-10-17)18-14(12)19/h8-9H,4-7,10-11,17H2,1-3H3
InChIKey
OFEIZXQEHYYUPC-UHFFFAOYSA-N
Compound name
tert-butyl 7-(3-aminopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.19467 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 173.4
[M+Na]+ 314.18389 178.7
[M-H]- 290.18739 173.9
[M+NH4]+ 309.22849 187.1
[M+K]+ 330.15783 175.6
[M+H-H2O]+ 274.19193 165.3
[M+HCOO]- 336.19287 188.4
[M+CH3COO]- 350.20852 205.0
[M+Na-2H]- 312.16934 176.8
[M]+ 291.19412 172.6
[M]- 291.19522 172.6
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

No patent data available for this compound.