CID 13362275

94221-34-8

Structural Information

Molecular Formula
C21H24N2O4
SMILES
CN1CC(CC1=NCCOC2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C21H24N2O4/c1-23-13-16(14-25-18-7-8-19-20(12-18)27-15-26-19)11-21(23)22-9-10-24-17-5-3-2-4-6-17/h2-8,12,16H,9-11,13-15H2,1H3
InChIKey
JGMKUTQWNGPEIC-UHFFFAOYSA-N
Compound name
4-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-N-(2-phenoxyethyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1736 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 186.0
[M+Na]+ 391.16282 191.3
[M-H]- 367.16632 197.4
[M+NH4]+ 386.20742 198.7
[M+K]+ 407.13676 190.0
[M+H-H2O]+ 351.17086 177.5
[M+HCOO]- 413.17180 206.7
[M+CH3COO]- 427.18745 196.7
[M+Na-2H]- 389.14827 187.2
[M]+ 368.17305 189.9
[M]- 368.17415 189.9
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.