CID 1113659

303093-79-0

Structural Information

Molecular Formula
C21H20ClNO3
SMILES
CC1=C(C(C(=C(N1)C)C(=O)C)C2=CC=C(O2)C3=CC=CC=C3Cl)C(=O)C
InChI
InChI=1S/C21H20ClNO3/c1-11-19(13(3)24)21(20(14(4)25)12(2)23-11)18-10-9-17(26-18)15-7-5-6-8-16(15)22/h5-10,21,23H,1-4H3
InChIKey
JVDHZFKQTDZURL-UHFFFAOYSA-N
Compound name
1-[5-acetyl-4-[5-(2-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

369.11316 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12044 187.5
[M+Na]+ 392.10238 196.9
[M-H]- 368.10588 196.2
[M+NH4]+ 387.14698 199.5
[M+K]+ 408.07632 191.2
[M+H-H2O]+ 352.11042 180.0
[M+HCOO]- 414.11136 200.8
[M+CH3COO]- 428.12701 216.5
[M+Na-2H]- 390.08783 183.8
[M]+ 369.11261 191.5
[M]- 369.11371 191.5
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.