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]+ 369.18088 185.8
[M+Na]+ 391.16282 189.3
[M-H]- 367.16632 195.5
[M+NH4]+ 386.20742 197.3
[M+K]+ 407.13676 187.8
[M+H-H2O]+ 351.17086 177.4
[M+HCOO]- 413.17180 203.9
[M+CH3COO]- 427.18745 195.3
[M+Na-2H]- 389.14827 186.2
[M]+ 368.17305 186.8
[M]- 368.17415 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