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

7
Patents

349.17902 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 184.4
[M+Na]+ 372.16824 192.1
[M-H]- 348.17174 190.9
[M+NH4]+ 367.21284 196.0
[M+K]+ 388.14218 185.0
[M+H-H2O]+ 332.17628 167.4
[M+HCOO]- 394.17722 203.3
[M+CH3COO]- 408.19287 225.1
[M+Na-2H]- 370.15369 184.7
[M]+ 349.17847 180.2
[M]- 349.17957 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