CID 6435646

100908-71-2

Structural Information

Molecular Formula
C23H26N2O2
SMILES
CN1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC=C(C=C4)N
InChI
InChI=1S/C23H26N2O2/c1-25-19-11-12-20(25)15-21(14-19)27-23(26)22(13-16-5-3-2-4-6-16)17-7-9-18(24)10-8-17/h2-10,13,19-21H,11-12,14-15,24H2,1H3/b22-13+
InChIKey
OTXUTZCELMAVAO-LPYMAVHISA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-2-(4-aminophenyl)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.19943 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.206706 189.2
[M+Na]+ 385.188648 192.3
[M-H]- 361.192154 195.3
[M+NH4]+ 380.233253 202.4
[M+K]+ 401.162588 186.5
[M+H-H2O]+ 345.196690 179.9
[M+HCOO]- 407.197631 204.2
[M+CH3COO]- 421.213281 197.2
[M+Na-2H]- 383.174096 187.3
[M]+ 362.19888142 184.5
[M]- 362.19997858 184.5
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.