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]+ 369.180876 186.0
[M+Na]+ 391.162818 191.3
[M-H]- 367.166324 197.4
[M+NH4]+ 386.207423 198.7
[M+K]+ 407.136758 190.0
[M+H-H2O]+ 351.170860 177.5
[M+HCOO]- 413.171801 206.7
[M+CH3COO]- 427.187451 196.7
[M+Na-2H]- 389.148266 187.2
[M]+ 368.17305142 189.9
[M]- 368.17414858 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.