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 193.0
[M+Na]+ 405.13402 198.2
[M-H]- 381.13752 198.1
[M+NH4]+ 400.17862 205.4
[M+K]+ 421.10796 191.2
[M+H-H2O]+ 365.14206 183.1
[M+HCOO]- 427.14300 201.9
[M+CH3COO]- 441.15865 200.9
[M+Na-2H]- 403.11947 191.1
[M]+ 382.14425 192.3
[M]- 382.14535 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.