CID 6434212

Brn 2877016

Structural Information

Molecular Formula
C20H27NO2
SMILES
CC1C2CCC(C2)C1CN(CCO)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C20H27NO2/c1-15-17-8-9-18(13-17)19(15)14-21(11-12-22)20(23)10-7-16-5-3-2-4-6-16/h2-7,10,15,17-19,22H,8-9,11-14H2,1H3/b10-7+
InChIKey
PMVYKYDAFDPIFY-JXMROGBWSA-N
Compound name
(E)-N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2042 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 180.6
[M+Na]+ 336.19342 183.8
[M-H]- 312.19692 185.6
[M+NH4]+ 331.23802 199.7
[M+K]+ 352.16736 179.6
[M+H-H2O]+ 296.20146 174.2
[M+HCOO]- 358.20240 199.5
[M+CH3COO]- 372.21805 209.8
[M+Na-2H]- 334.17887 178.0
[M]+ 313.20365 179.8
[M]- 313.20475 179.8
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.