CID 211486

23205-24-5

Structural Information

Molecular Formula
C21H24Cl2N2O2
SMILES
CCN1CCCC1CNC(=O)C2=C(C(=CC(=C2)Cl)Cl)OCC3=CC=CC=C3
InChI
InChI=1S/C21H24Cl2N2O2/c1-2-25-10-6-9-17(25)13-24-21(26)18-11-16(22)12-19(23)20(18)27-14-15-7-4-3-5-8-15/h3-5,7-8,11-12,17H,2,6,9-10,13-14H2,1H3,(H,24,26)
InChIKey
NSHCYKGCMPCBBA-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylmethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

406.1215 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.12878 198.0
[M+Na]+ 429.11072 204.4
[M-H]- 405.11422 205.0
[M+NH4]+ 424.15532 210.1
[M+K]+ 445.08466 196.9
[M+H-H2O]+ 389.11876 189.1
[M+HCOO]- 451.11970 208.7
[M+CH3COO]- 465.13535 222.4
[M+Na-2H]- 427.09617 195.1
[M]+ 406.12095 201.2
[M]- 406.12205 201.2
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