CID 6912323

2-(p-chlorophenyl)-3-(4-pyridyl)acrylic acid 3-tropanyl ester 2-(p-hydroxybenzoyl)benzoate

Structural Information

Molecular Formula
C22H23ClN2O2
SMILES
CN1C2CCC1CC(C2)OC(=O)/C(=C\C3=CC=NC=C3)/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H23ClN2O2/c1-25-18-6-7-19(25)14-20(13-18)27-22(26)21(12-15-8-10-24-11-9-15)16-2-4-17(23)5-3-16/h2-5,8-12,18-20H,6-7,13-14H2,1H3/b21-12-
InChIKey
KDMGSUOYESRGQD-MTJSOVHGSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-(4-chlorophenyl)-3-pyridin-4-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1448 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15208 190.8
[M+Na]+ 405.13402 204.2
[M+NH4]+ 400.17862 198.8
[M+K]+ 421.10796 197.3
[M-H]- 381.13752 194.7
[M+Na-2H]- 403.11947 196.1
[M]+ 382.14425 194.0
[M]- 382.14535 194.0
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

No patent data available for this compound.