CID 206709

28478-50-4

Structural Information

Molecular Formula
C16H23ClN2O2
SMILES
CCN1CCCC1CNC(=O)C2=C(C=C(C(=C2)Cl)C)OC
InChI
InChI=1S/C16H23ClN2O2/c1-4-19-7-5-6-12(19)10-18-16(20)13-9-14(17)11(2)8-15(13)21-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)
InChIKey
FERUQSPCONSSAR-UHFFFAOYSA-N
Compound name
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.1448 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15208 174.7
[M+Na]+ 333.13402 181.8
[M-H]- 309.13752 179.8
[M+NH4]+ 328.17862 190.9
[M+K]+ 349.10796 177.0
[M+H-H2O]+ 293.14206 167.5
[M+HCOO]- 355.14300 191.0
[M+CH3COO]- 369.15865 207.9
[M+Na-2H]- 331.11947 173.1
[M]+ 310.14425 177.2
[M]- 310.14535 177.2
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