CID 454419

Bdbm1332

Structural Information

Molecular Formula
C18H19Cl2N3O2
SMILES
CCC1=C(NC(=O)C(=C1)N(CC)CC2=NC3=C(C=CC(=C3O2)Cl)Cl)C
InChI
InChI=1S/C18H19Cl2N3O2/c1-4-11-8-14(18(24)21-10(11)3)23(5-2)9-15-22-16-12(19)6-7-13(20)17(16)25-15/h6-8H,4-5,9H2,1-3H3,(H,21,24)
InChIKey
NXBVFMTYQSYQNP-UHFFFAOYSA-N
Compound name
3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methyl-ethylamino]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.08542 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.09270 189.3
[M+Na]+ 402.07464 201.8
[M-H]- 378.07814 195.4
[M+NH4]+ 397.11924 202.0
[M+K]+ 418.04858 195.3
[M+H-H2O]+ 362.08268 181.3
[M+HCOO]- 424.08362 201.1
[M+CH3COO]- 438.09927 200.3
[M+Na-2H]- 400.06009 190.3
[M]+ 379.08487 198.7
[M]- 379.08597 198.7
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.