CID 485005

Chembl102393

Structural Information

Molecular Formula
C19H18BrN3O2
SMILES
CC(C)OC1=CC=CC=C1CNC(=O)C2=NC3=C(C=NC=C3C=C2)Br
InChI
InChI=1S/C19H18BrN3O2/c1-12(2)25-17-6-4-3-5-13(17)10-22-19(24)16-8-7-14-9-21-11-15(20)18(14)23-16/h3-9,11-12H,10H2,1-2H3,(H,22,24)
InChIKey
OAFIKKOSJJAGRM-UHFFFAOYSA-N
Compound name
8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

399.05823 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.06551 185.1
[M+Na]+ 422.04745 194.3
[M-H]- 398.05095 192.1
[M+NH4]+ 417.09205 197.8
[M+K]+ 438.02139 182.1
[M+H-H2O]+ 382.05549 181.4
[M+HCOO]- 444.05643 201.9
[M+CH3COO]- 458.07208 220.4
[M+Na-2H]- 420.03290 190.5
[M]+ 399.05768 205.2
[M]- 399.05878 205.2
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