CID 210117

3-(n-methylanilino)-3',4',5'-trimethoxy-1-pyrrolidinecarboxanilide hydrochloride

Structural Information

Molecular Formula
C21H27N3O4
SMILES
CN(C1CCN(C1)C(=O)NC2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CC=C3
InChI
InChI=1S/C21H27N3O4/c1-23(16-8-6-5-7-9-16)17-10-11-24(14-17)21(25)22-15-12-18(26-2)20(28-4)19(13-15)27-3/h5-9,12-13,17H,10-11,14H2,1-4H3,(H,22,25)
InChIKey
YQQHDVXTACUNPH-UHFFFAOYSA-N
Compound name
3-(N-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.20016 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.20744 192.0
[M+Na]+ 408.18938 196.0
[M-H]- 384.19288 201.6
[M+NH4]+ 403.23398 203.7
[M+K]+ 424.16332 194.4
[M+H-H2O]+ 368.19742 181.7
[M+HCOO]- 430.19836 214.4
[M+CH3COO]- 444.21401 227.1
[M+Na-2H]- 406.17483 190.9
[M]+ 385.19961 194.9
[M]- 385.20071 194.9
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

No patent data available for this compound.