CID 6435648

P-chloro-alpha-phenylcinnamic acid 3-tropanyl ester hydrochloride hydrate

Structural Information

Molecular Formula
C23H24ClNO2
SMILES
CN1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=C(C=C3)Cl)/C4=CC=CC=C4
InChI
InChI=1S/C23H24ClNO2/c1-25-19-11-12-20(25)15-21(14-19)27-23(26)22(17-5-3-2-4-6-17)13-16-7-9-18(24)10-8-16/h2-10,13,19-21H,11-12,14-15H2,1H3/b22-13+
InChIKey
FUUSBTMJBCFLCZ-LPYMAVHISA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-3-(4-chlorophenyl)-2-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.14957 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15685 193.9
[M+Na]+ 404.13879 198.8
[M-H]- 380.14229 200.3
[M+NH4]+ 399.18339 207.8
[M+K]+ 420.11273 191.6
[M+H-H2O]+ 364.14683 185.0
[M+HCOO]- 426.14777 203.9
[M+CH3COO]- 440.16342 202.2
[M+Na-2H]- 402.12424 191.5
[M]+ 381.14902 193.1
[M]- 381.15012 193.1
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.