CID 6912323

Acrylic acid, 2-(p-chlorophenyl)-3-(4-pyridyl)-, 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]+ 383.152076 193.0
[M+Na]+ 405.134018 198.2
[M-H]- 381.137524 198.1
[M+NH4]+ 400.178623 205.4
[M+K]+ 421.107958 191.2
[M+H-H2O]+ 365.142060 183.1
[M+HCOO]- 427.143001 201.9
[M+CH3COO]- 441.158651 200.9
[M+Na-2H]- 403.119466 191.1
[M]+ 382.14425142 192.3
[M]- 382.14534858 192.3
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.