CID 182605

73328-60-6

Structural Information

Molecular Formula
C20H24ClN3O2
SMILES
CNC1=C(C=C(C(=C1)OC)C(=O)NC2CCN(C2)CC3=CC=CC=C3)Cl
InChI
InChI=1S/C20H24ClN3O2/c1-22-18-11-19(26-2)16(10-17(18)21)20(25)23-15-8-9-24(13-15)12-14-6-4-3-5-7-14/h3-7,10-11,15,22H,8-9,12-13H2,1-2H3,(H,23,25)
InChIKey
LEHPVQYYMXMDNK-UHFFFAOYSA-N
Compound name
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

373.1557 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16298 190.2
[M+Na]+ 396.14492 202.3
[M+NH4]+ 391.18952 197.5
[M+K]+ 412.11886 196.1
[M-H]- 372.14842 196.1
[M+Na-2H]- 394.13037 197.5
[M]+ 373.15515 193.7
[M]- 373.15625 193.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe