CID 210876

21820-63-3

Structural Information

Molecular Formula
C18H20N2O
SMILES
CN1CCC(C1)N(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H20N2O/c1-19-13-12-17(14-19)20(16-10-6-3-7-11-16)18(21)15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3
InChIKey
HLMAGCWXIHSDDC-UHFFFAOYSA-N
Compound name
N-(1-methylpyrrolidin-3-yl)-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.15756 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 166.6
[M+Na]+ 303.14678 170.7
[M-H]- 279.15028 175.6
[M+NH4]+ 298.19138 182.3
[M+K]+ 319.12072 167.4
[M+H-H2O]+ 263.15482 156.9
[M+HCOO]- 325.15576 188.5
[M+CH3COO]- 339.17141 177.6
[M+Na-2H]- 301.13223 168.0
[M]+ 280.15701 163.8
[M]- 280.15811 163.8
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