CID 54941

82935-26-0

Structural Information

Molecular Formula
C16H22Cl2N2O3
SMILES
CCN1CCCC1CNC(=O)C2=C(C(=CC(=C2OC)Cl)Cl)OC
InChI
InChI=1S/C16H22Cl2N2O3/c1-4-20-7-5-6-10(20)9-19-16(21)13-14(22-2)11(17)8-12(18)15(13)23-3/h8,10H,4-7,9H2,1-3H3,(H,19,21)
InChIKey
JGQKBQNMKHVABS-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

360.10074 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.10802 183.4
[M+Na]+ 383.08996 191.5
[M-H]- 359.09346 188.1
[M+NH4]+ 378.13456 198.2
[M+K]+ 399.06390 186.1
[M+H-H2O]+ 343.09800 176.8
[M+HCOO]- 405.09894 194.7
[M+CH3COO]- 419.11459 215.4
[M+Na-2H]- 381.07541 180.5
[M]+ 360.10019 188.8
[M]- 360.10129 188.8
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