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

4
Patents

334.16812 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.175396 178.8
[M+Na]+ 357.157338 186.4
[M-H]- 333.160844 190.4
[M+NH4]+ 352.201943 194.6
[M+K]+ 373.131278 182.5
[M+H-H2O]+ 317.165380 170.0
[M+HCOO]- 379.166321 203.0
[M+CH3COO]- 393.181971 190.8
[M+Na-2H]- 355.142786 181.1
[M]+ 334.16757142 182.1
[M]- 334.16866858 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