CID 209553

1-(1-benzylpyrrolidin-3-yl)-3-(3,4,5-trimethoxyphenyl)urea

Structural Information

Molecular Formula
C21H27N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)NC2CCN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C21H27N3O4/c1-26-18-11-17(12-19(27-2)20(18)28-3)23-21(25)22-16-9-10-24(14-16)13-15-7-5-4-6-8-15/h4-8,11-12,16H,9-10,13-14H2,1-3H3,(H2,22,23,25)
InChIKey
NDKOBCHIVYWHHD-UHFFFAOYSA-N
Compound name
1-(1-benzylpyrrolidin-3-yl)-3-(3,4,5-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.20016 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.20744 194.5
[M+Na]+ 408.18938 204.4
[M+NH4]+ 403.23398 200.1
[M+K]+ 424.16332 200.1
[M-H]- 384.19288 199.3
[M+Na-2H]- 406.17483 200.6
[M]+ 385.19961 196.9
[M]- 385.20071 196.9
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.