CID 3058709

1,6-naphthyridine, 5,6,7,8-tetrahydro-6-((4-(1-methylethyl)phenyl)methyl)-

Structural Information

Molecular Formula
C18H22N2
SMILES
CC(C)C1=CC=C(C=C1)CN2CCC3=C(C2)C=CC=N3
InChI
InChI=1S/C18H22N2/c1-14(2)16-7-5-15(6-8-16)12-20-11-9-18-17(13-20)4-3-10-19-18/h3-8,10,14H,9,11-13H2,1-2H3
InChIKey
AVHWVEQELMWJJI-UHFFFAOYSA-N
Compound name
6-[(4-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 165.4
[M+Na]+ 289.16750 180.8
[M+NH4]+ 284.21210 174.9
[M+K]+ 305.14144 171.5
[M-H]- 265.17100 170.5
[M+Na-2H]- 287.15295 174.1
[M]+ 266.17773 169.3
[M]- 266.17883 169.3
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.