CID 6435654

Cinnamic acid, alpha-(p-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate

Structural Information

Molecular Formula
C23H24N2O4
SMILES
CN1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C23H24N2O4/c1-24-19-11-12-20(24)15-21(14-19)29-23(26)22(13-16-5-3-2-4-6-16)17-7-9-18(10-8-17)25(27)28/h2-10,13,19-21H,11-12,14-15H2,1H3/b22-13+
InChIKey
CMQXECIQMURSCY-LPYMAVHISA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-2-(4-nitrophenyl)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1736 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.180876 194.6
[M+Na]+ 415.162818 195.9
[M-H]- 391.166324 200.9
[M+NH4]+ 410.207423 205.6
[M+K]+ 431.136758 187.2
[M+H-H2O]+ 375.170860 189.5
[M+HCOO]- 437.171801 209.9
[M+CH3COO]- 451.187451 215.2
[M+Na-2H]- 413.148266 195.0
[M]+ 392.17305142 189.9
[M]- 392.17414858 189.9
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.