CID 3058708

1,6-naphthyridine, 5,6,7,8-tetrahydro-6-((3-(1-methylethyl)phenyl)methyl)-

Structural Information

Molecular Formula
C18H22N2
SMILES
CC(C)C1=CC=CC(=C1)CN2CCC3=C(C2)C=CC=N3
InChI
InChI=1S/C18H22N2/c1-14(2)16-6-3-5-15(11-16)12-20-10-8-18-17(13-20)7-4-9-19-18/h3-7,9,11,14H,8,10,12-13H2,1-2H3
InChIKey
GMQOJTAZKSHBHM-UHFFFAOYSA-N
Compound name
6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.17828 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 165.3
[M+Na]+ 289.16750 171.0
[M-H]- 265.17100 169.0
[M+NH4]+ 284.21210 179.7
[M+K]+ 305.14144 165.8
[M+H-H2O]+ 249.17554 155.4
[M+HCOO]- 311.17648 181.4
[M+CH3COO]- 325.19213 175.3
[M+Na-2H]- 287.15295 169.6
[M]+ 266.17773 162.5
[M]- 266.17883 162.5
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