CID 46839893

1104027-46-4

Structural Information

Molecular Formula
C15H15ClN2
SMILES
C1CN(CC2=C1C(=NC=C2)Cl)CC3=CC=CC=C3
InChI
InChI=1S/C15H15ClN2/c16-15-14-7-9-18(11-13(14)6-8-17-15)10-12-4-2-1-3-5-12/h1-6,8H,7,9-11H2
InChIKey
IUQVIIUHJIPKQK-UHFFFAOYSA-N
Compound name
2-benzyl-5-chloro-3,4-dihydro-1H-2,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

258.09238 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09966 157.8
[M+Na]+ 281.08160 166.0
[M-H]- 257.08510 161.6
[M+NH4]+ 276.12620 173.5
[M+K]+ 297.05554 159.3
[M+H-H2O]+ 241.08964 148.6
[M+HCOO]- 303.09058 171.3
[M+CH3COO]- 317.10623 168.8
[M+Na-2H]- 279.06705 164.4
[M]+ 258.09183 156.8
[M]- 258.09293 156.8
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