CID 485006

Chembl100451

Structural Information

Molecular Formula
C19H18ClN3O2
SMILES
CC(C)OC1=CC=CC=C1CNC(=O)C2=NC3=C(C=NC=C3C=C2)Cl
InChI
InChI=1S/C19H18ClN3O2/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
NKRGBJDQLSOBHA-UHFFFAOYSA-N
Compound name
8-chloro-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.10876 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11604 182.2
[M+Na]+ 378.09798 190.1
[M-H]- 354.10148 186.9
[M+NH4]+ 373.14258 193.7
[M+K]+ 394.07192 184.1
[M+H-H2O]+ 338.10602 172.5
[M+HCOO]- 400.10696 196.9
[M+CH3COO]- 414.12261 216.3
[M+Na-2H]- 376.08343 186.6
[M]+ 355.10821 186.3
[M]- 355.10931 186.3
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.