CID 22335402

601514-63-0

Structural Information

Molecular Formula
C15H15BrN2
SMILES
C1CN(CC2=C1C(=NC=C2)Br)CC3=CC=CC=C3
InChI
InChI=1S/C15H15BrN2/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
OCLBQOVXDRFJSI-UHFFFAOYSA-N
Compound name
2-benzyl-5-bromo-3,4-dihydro-1H-2,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

302.04187 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.049146 162.3
[M+Na]+ 325.031088 172.3
[M-H]- 301.034594 168.9
[M+NH4]+ 320.075693 179.3
[M+K]+ 341.005028 159.9
[M+H-H2O]+ 285.039130 160.2
[M+HCOO]- 347.040071 178.4
[M+CH3COO]- 361.055721 174.9
[M+Na-2H]- 323.016536 170.1
[M]+ 302.04132142 178.1
[M]- 302.04241858 178.1
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