CID 3060891

C 5305

Structural Information

Molecular Formula
C21H26ClN3O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)N(CCN2CCCC2)CC3=CC=CC=C3
InChI
InChI=1S/C21H26ClN3O/c1-17-8-7-11-19(22)20(17)23-21(26)25(15-14-24-12-5-6-13-24)16-18-9-3-2-4-10-18/h2-4,7-11H,5-6,12-16H2,1H3,(H,23,26)
InChIKey
HMEVXGWJSYJTPF-UHFFFAOYSA-N
Compound name
1-benzyl-3-(2-chloro-6-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.17645 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18373 191.6
[M+Na]+ 394.16567 203.4
[M+NH4]+ 389.21027 199.5
[M+K]+ 410.13961 196.5
[M-H]- 370.16917 198.0
[M+Na-2H]- 392.15112 199.7
[M]+ 371.17590 195.2
[M]- 371.17700 195.2
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.