CID 3078816

122892-32-4

Structural Information

Molecular Formula
C21H24N2O4
SMILES
C1CCN(C1)CCOC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C21H24N2O4/c24-21(17-5-8-19-20(13-17)27-15-26-19)22-14-16-3-6-18(7-4-16)25-12-11-23-9-1-2-10-23/h3-8,13H,1-2,9-12,14-15H2,(H,22,24)
InChIKey
UNOOSJZCTDJNIF-UHFFFAOYSA-N
Compound name
N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

368.1736 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.180876 185.8
[M+Na]+ 391.162818 189.3
[M-H]- 367.166324 195.5
[M+NH4]+ 386.207423 197.3
[M+K]+ 407.136758 187.8
[M+H-H2O]+ 351.170860 177.4
[M+HCOO]- 413.171801 203.9
[M+CH3COO]- 427.187451 195.3
[M+Na-2H]- 389.148266 186.2
[M]+ 368.17305142 186.8
[M]- 368.17414858 186.8
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

patents stripe