CID 13362271

1-methyl-4-(2-benzofuryl)-2-(2-phenoxyethylimino)pyrrolidine hydrogen fumarate

Structural Information

Molecular Formula
C21H22N2O2
SMILES
CN1CC(CC1=NCCOC2=CC=CC=C2)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C21H22N2O2/c1-23-15-17(20-13-16-7-5-6-10-19(16)25-20)14-21(23)22-11-12-24-18-8-3-2-4-9-18/h2-10,13,17H,11-12,14-15H2,1H3
InChIKey
RJJBUSYTBPHRFK-UHFFFAOYSA-N
Compound name
4-(1-benzofuran-2-yl)-1-methyl-N-(2-phenoxyethyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

334.16812 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 178.8
[M+Na]+ 357.15734 186.4
[M-H]- 333.16084 190.4
[M+NH4]+ 352.20194 194.6
[M+K]+ 373.13128 182.5
[M+H-H2O]+ 317.16538 170.0
[M+HCOO]- 379.16632 203.0
[M+CH3COO]- 393.18197 190.8
[M+Na-2H]- 355.14279 181.1
[M]+ 334.16757 182.1
[M]- 334.16867 182.1
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