CID 5311287

4-(benzyloxy)-n-{[1-(dimethylamino)cyclopentyl]methyl}-3,5-dimethoxybenzamide

Structural Information

Molecular Formula
C24H32N2O4
SMILES
CN(C)C1(CCCC1)CNC(=O)C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC
InChI
InChI=1S/C24H32N2O4/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27)
InChIKey
ZCYOBMASPXQBSZ-UHFFFAOYSA-N
Compound name
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

33
Patents

412.2362 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.24348 200.6
[M+Na]+ 435.22542 203.5
[M-H]- 411.22892 210.9
[M+NH4]+ 430.27002 214.3
[M+K]+ 451.19936 201.6
[M+H-H2O]+ 395.23346 191.2
[M+HCOO]- 457.23440 223.3
[M+CH3COO]- 471.25005 232.1
[M+Na-2H]- 433.21087 199.8
[M]+ 412.23565 204.1
[M]- 412.23675 204.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe