CID 209226

Brn 0497798

Structural Information

Molecular Formula
C24H25N3O
SMILES
CN(C1CCN(C1)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H25N3O/c1-25(20-11-5-2-6-12-20)23-17-18-26(19-23)24(28)27(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3
InChIKey
SWQVNCDCXATWGJ-UHFFFAOYSA-N
Compound name
3-(N-methylanilino)-N,N-diphenylpyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.19977 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.20705 190.0
[M+Na]+ 394.18899 191.7
[M-H]- 370.19249 202.7
[M+NH4]+ 389.23359 201.4
[M+K]+ 410.16293 188.0
[M+H-H2O]+ 354.19703 178.0
[M+HCOO]- 416.19797 212.4
[M+CH3COO]- 430.21362 199.1
[M+Na-2H]- 392.17444 190.5
[M]+ 371.19922 186.9
[M]- 371.20032 186.9
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