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

No literature data available for this compound.

Patent stripe

patents stripe