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

1
Patents

266.17828 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.185556 165.3
[M+Na]+ 289.167498 171.0
[M-H]- 265.171004 169.0
[M+NH4]+ 284.212103 179.7
[M+K]+ 305.141438 165.8
[M+H-H2O]+ 249.175540 155.4
[M+HCOO]- 311.176481 181.4
[M+CH3COO]- 325.192131 175.3
[M+Na-2H]- 287.152946 169.6
[M]+ 266.17773142 162.5
[M]- 266.17882858 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