CID 6912285

2-(p-methoxyphenyl)-3-(2-thienyl)acrylic acid 3-tropanyl ester hydrochloride

Structural Information

Molecular Formula
C22H25NO3S
SMILES
CN1C2CCC1CC(C2)OC(=O)/C(=C\C3=CC=CS3)/C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H25NO3S/c1-23-16-7-8-17(23)13-19(12-16)26-22(24)21(14-20-4-3-11-27-20)15-5-9-18(25-2)10-6-15/h3-6,9-11,14,16-17,19H,7-8,12-13H2,1-2H3/b21-14-
InChIKey
NNQZVGZDAIASRG-STZFKDTASA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.15552 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.16280 194.6
[M+Na]+ 406.14474 199.5
[M-H]- 382.14824 202.1
[M+NH4]+ 401.18934 210.5
[M+K]+ 422.11868 195.2
[M+H-H2O]+ 366.15278 188.0
[M+HCOO]- 428.15372 206.2
[M+CH3COO]- 442.16937 203.6
[M+Na-2H]- 404.13019 189.2
[M]+ 383.15497 196.8
[M]- 383.15607 196.8
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.