CID 59668

4-allyloxy-3,5-dipropyl-n-(2-(1-pyrrolidinyl)ethyl)benzamide hydrochloride

Structural Information

Molecular Formula
C22H34N2O2
SMILES
CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)NCCN2CCCC2
InChI
InChI=1S/C22H34N2O2/c1-4-9-18-16-20(17-19(10-5-2)21(18)26-15-6-3)22(25)23-11-14-24-12-7-8-13-24/h6,16-17H,3-5,7-15H2,1-2H3,(H,23,25)
InChIKey
RELXUZIHLAOQPN-UHFFFAOYSA-N
Compound name
4-prop-2-enoxy-3,5-dipropyl-N-(2-pyrrolidin-1-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.26202 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.26930 193.0
[M+Na]+ 381.25124 196.0
[M-H]- 357.25474 196.8
[M+NH4]+ 376.29584 205.9
[M+K]+ 397.22518 191.0
[M+H-H2O]+ 341.25928 183.8
[M+HCOO]- 403.26022 212.0
[M+CH3COO]- 417.27587 220.2
[M+Na-2H]- 379.23669 189.5
[M]+ 358.26147 194.5
[M]- 358.26257 194.5
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.