CID 210869

4-chloro-n-(1-methyl-3-pyrrolidinyl)benzanilide fumarate (1:1)

Structural Information

Molecular Formula
C18H19ClN2O
SMILES
CN1CCC(C1)N(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H19ClN2O/c1-20-12-11-17(13-20)21(16-5-3-2-4-6-16)18(22)14-7-9-15(19)10-8-14/h2-10,17H,11-13H2,1H3
InChIKey
FJCVKMFGDXLDHD-UHFFFAOYSA-N
Compound name
4-chloro-N-(1-methylpyrrolidin-3-yl)-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.1186 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12588 173.7
[M+Na]+ 337.10782 187.4
[M+NH4]+ 332.15242 182.7
[M+K]+ 353.08176 180.9
[M-H]- 313.11132 180.1
[M+Na-2H]- 335.09327 183.0
[M]+ 314.11805 177.7
[M]- 314.11915 177.7
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