CID 3058713

75510-02-0

Structural Information

Molecular Formula
C15H16N2
SMILES
C1CN(CC2=C1N=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C15H16N2/c1-2-5-13(6-3-1)11-17-10-8-15-14(12-17)7-4-9-16-15/h1-7,9H,8,10-12H2
InChIKey
OGXKXWUYFHASPY-UHFFFAOYSA-N
Compound name
6-benzyl-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

224.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13863 151.1
[M+Na]+ 247.12057 157.6
[M-H]- 223.12407 154.9
[M+NH4]+ 242.16517 167.0
[M+K]+ 263.09451 152.5
[M+H-H2O]+ 207.12861 141.5
[M+HCOO]- 269.12955 169.3
[M+CH3COO]- 283.14520 162.2
[M+Na-2H]- 245.10602 159.1
[M]+ 224.13080 147.6
[M]- 224.13190 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe