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 174.7
[M+Na]+ 337.10782 180.6
[M-H]- 313.11132 183.8
[M+NH4]+ 332.15242 190.2
[M+K]+ 353.08176 175.5
[M+H-H2O]+ 297.11586 165.6
[M+HCOO]- 359.11680 192.0
[M+CH3COO]- 373.13245 185.6
[M+Na-2H]- 335.09327 174.8
[M]+ 314.11805 174.6
[M]- 314.11915 174.6
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