CID 3058707

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

Structural Information

Molecular Formula
C16H18N2
SMILES
CC1=CC=C(C=C1)CN2CCC3=C(C2)C=CC=N3
InChI
InChI=1S/C16H18N2/c1-13-4-6-14(7-5-13)11-18-10-8-16-15(12-18)3-2-9-17-16/h2-7,9H,8,10-12H2,1H3
InChIKey
BJESTRWPPVSOPH-UHFFFAOYSA-N
Compound name
6-[(4-methylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15428 156.1
[M+Na]+ 261.13622 163.1
[M-H]- 237.13972 160.2
[M+NH4]+ 256.18082 171.8
[M+K]+ 277.11016 157.8
[M+H-H2O]+ 221.14426 146.5
[M+HCOO]- 283.14520 174.0
[M+CH3COO]- 297.16085 167.2
[M+Na-2H]- 259.12167 162.7
[M]+ 238.14645 153.3
[M]- 238.14755 153.3
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

patents stripe