CID 478044

3-benzyl-2,4-dichloro-7-methyl-1,8-naphthyridine

Structural Information

Molecular Formula
C16H12Cl2N2
SMILES
CC1=NC2=NC(=C(C(=C2C=C1)Cl)CC3=CC=CC=C3)Cl
InChI
InChI=1S/C16H12Cl2N2/c1-10-7-8-12-14(17)13(15(18)20-16(12)19-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey
SDBDNSJZWPWJDS-UHFFFAOYSA-N
Compound name
3-benzyl-2,4-dichloro-7-methyl-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.03775 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04503 165.7
[M+Na]+ 325.02697 177.6
[M-H]- 301.03047 169.9
[M+NH4]+ 320.07157 180.8
[M+K]+ 341.00091 169.5
[M+H-H2O]+ 285.03501 157.1
[M+HCOO]- 347.03595 176.4
[M+CH3COO]- 361.05160 177.2
[M+Na-2H]- 323.01242 171.5
[M]+ 302.03720 169.9
[M]- 302.03830 169.9
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

No patent data available for this compound.