CID 454422

Bdbm1335

Structural Information

Molecular Formula
C18H18Cl2N2O2
SMILES
CCC1=C(NC(=O)C(=C1)N(C)CC2=CC3=C(C=CC(=C3O2)Cl)Cl)C
InChI
InChI=1S/C18H18Cl2N2O2/c1-4-11-7-16(18(23)21-10(11)2)22(3)9-12-8-13-14(19)5-6-15(20)17(13)24-12/h5-8H,4,9H2,1-3H3,(H,21,23)
InChIKey
FFUGDSDUNSJUTI-UHFFFAOYSA-N
Compound name
3-[(4,7-dichloro-1-benzofuran-2-yl)methyl-methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.07452 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08180 185.3
[M+Na]+ 387.06374 197.9
[M-H]- 363.06724 192.8
[M+NH4]+ 382.10834 200.1
[M+K]+ 403.03768 191.6
[M+H-H2O]+ 347.07178 178.5
[M+HCOO]- 409.07272 198.5
[M+CH3COO]- 423.08837 197.1
[M+Na-2H]- 385.04919 186.4
[M]+ 364.07397 194.5
[M]- 364.07507 194.5
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.