CID 210860

21787-50-8

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CCC(=O)N(C1CCN(C1)CC2=CC=CC=C2)C3=CC=CC=C3OC
InChI
InChI=1S/C21H26N2O2/c1-3-21(24)23(19-11-7-8-12-20(19)25-2)18-13-14-22(16-18)15-17-9-5-4-6-10-17/h4-12,18H,3,13-16H2,1-2H3
InChIKey
JMURWSNPDOBYGX-UHFFFAOYSA-N
Compound name
N-(1-benzylpyrrolidin-3-yl)-N-(2-methoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 183.3
[M+Na]+ 361.18865 186.8
[M-H]- 337.19215 192.1
[M+NH4]+ 356.23325 196.8
[M+K]+ 377.16259 183.5
[M+H-H2O]+ 321.19669 173.1
[M+HCOO]- 383.19763 204.3
[M+CH3COO]- 397.21328 215.9
[M+Na-2H]- 359.17410 182.5
[M]+ 338.19888 183.3
[M]- 338.19998 183.3
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

No patent data available for this compound.