CID 6435016

Brn 1514823

Structural Information

Molecular Formula
C26H31NO5
SMILES
CN1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C26H31NO5/c1-27-19-10-11-20(27)16-21(15-19)32-26(28)22(12-17-8-6-5-7-9-17)18-13-23(29-2)25(31-4)24(14-18)30-3/h5-9,12-14,19-21H,10-11,15-16H2,1-4H3/b22-12+
InChIKey
MCWAVUWWKDYXPM-WSDLNYQXSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-3-phenyl-2-(3,4,5-trimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.2202 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.22748 207.9
[M+Na]+ 460.20942 211.4
[M-H]- 436.21292 214.6
[M+NH4]+ 455.25402 218.7
[M+K]+ 476.18336 207.8
[M+H-H2O]+ 420.21746 198.2
[M+HCOO]- 482.21840 221.6
[M+CH3COO]- 496.23405 231.5
[M+Na-2H]- 458.19487 203.8
[M]+ 437.21965 210.7
[M]- 437.22075 210.7
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.