CID 13362278

1-methyl-4-(2'-cyanophenoxymethyl)-2-(2-phenoxyethylimino)pyrrolidine hydrogen fumarate

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CN1CC(CC1=NCCOC2=CC=CC=C2)COC3=CC=CC=C3C#N
InChI
InChI=1S/C21H23N3O2/c1-24-15-17(16-26-20-10-6-5-7-18(20)14-22)13-21(24)23-11-12-25-19-8-3-2-4-9-19/h2-10,17H,11-13,15-16H2,1H3
InChIKey
UWJKJOMKMPSJAQ-UHFFFAOYSA-N
Compound name
2-[[1-methyl-5-(2-phenoxyethylimino)pyrrolidin-3-yl]methoxy]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

349.17902 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.186296 184.4
[M+Na]+ 372.168238 192.1
[M-H]- 348.171744 190.9
[M+NH4]+ 367.212843 196.0
[M+K]+ 388.142178 185.0
[M+H-H2O]+ 332.176280 167.4
[M+HCOO]- 394.177221 203.3
[M+CH3COO]- 408.192871 225.1
[M+Na-2H]- 370.153686 184.7
[M]+ 349.17847142 180.2
[M]- 349.17956858 180.2
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