CID 58896

101813-63-2

Structural Information

Molecular Formula
C25H30N2O3
SMILES
C1CC1C(=O)NCC2(CCN(CC2)CC3COC4=CC=CC=C4O3)C5=CC=CC=C5
InChI
InChI=1S/C25H30N2O3/c28-24(19-10-11-19)26-18-25(20-6-2-1-3-7-20)12-14-27(15-13-25)16-21-17-29-22-8-4-5-9-23(22)30-21/h1-9,19,21H,10-18H2,(H,26,28)
InChIKey
ZHDVMRVRISQADX-UHFFFAOYSA-N
Compound name
N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenylpiperidin-4-yl]methyl]cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.22565 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.23293 196.8
[M+Na]+ 429.21487 200.2
[M-H]- 405.21837 208.0
[M+NH4]+ 424.25947 200.2
[M+K]+ 445.18881 198.6
[M+H-H2O]+ 389.22291 185.7
[M+HCOO]- 451.22385 209.1
[M+CH3COO]- 465.23950 203.7
[M+Na-2H]- 427.20032 199.8
[M]+ 406.22510 194.7
[M]- 406.22620 194.7
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.