CID 3060887

C 5306

Structural Information

Molecular Formula
C23H30ClN3O
SMILES
CC1CCC(N1CCN(CC2=CC=CC=C2)C(=O)NC3=C(C=CC=C3Cl)C)C
InChI
InChI=1S/C23H30ClN3O/c1-17-8-7-11-21(24)22(17)25-23(28)26(16-20-9-5-4-6-10-20)14-15-27-18(2)12-13-19(27)3/h4-11,18-19H,12-16H2,1-3H3,(H,25,28)
InChIKey
OAONDDPIESATPW-UHFFFAOYSA-N
Compound name
1-benzyl-3-(2-chloro-6-methylphenyl)-1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.20773 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.21501 201.7
[M+Na]+ 422.19695 206.4
[M-H]- 398.20045 210.7
[M+NH4]+ 417.24155 214.1
[M+K]+ 438.17089 200.3
[M+H-H2O]+ 382.20499 191.9
[M+HCOO]- 444.20593 218.3
[M+CH3COO]- 458.22158 230.0
[M+Na-2H]- 420.18240 198.4
[M]+ 399.20718 203.5
[M]- 399.20828 203.5
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.