CID 6912283

2-(p-chlorophenyl)-3-(2-furyl)acrylic acid 3-tropanyl ester hydrochloride

Structural Information

Molecular Formula
C21H22ClNO3
SMILES
CN1C2CCC1CC(C2)OC(=O)/C(=C\C3=CC=CO3)/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H22ClNO3/c1-23-16-8-9-17(23)12-19(11-16)26-21(24)20(13-18-3-2-10-25-18)14-4-6-15(22)7-5-14/h2-7,10,13,16-17,19H,8-9,11-12H2,1H3/b20-13-
InChIKey
XXMAMOPWTXOLKB-MOSHPQCFSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1288 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13608 191.0
[M+Na]+ 394.11802 196.7
[M-H]- 370.12152 198.8
[M+NH4]+ 389.16262 206.0
[M+K]+ 410.09196 191.9
[M+H-H2O]+ 354.12606 183.9
[M+HCOO]- 416.12700 201.8
[M+CH3COO]- 430.14265 200.4
[M+Na-2H]- 392.10347 187.5
[M]+ 371.12825 192.5
[M]- 371.12935 192.5
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.