CID 3060962

C 5323

Structural Information

Molecular Formula
C21H25Cl2N3O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)N(CCN2CCCC2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H25Cl2N3O/c1-16-5-4-6-19(23)20(16)24-21(27)26(14-13-25-11-2-3-12-25)15-17-7-9-18(22)10-8-17/h4-10H,2-3,11-15H2,1H3,(H,24,27)
InChIKey
VSGIFVVDCNRQMM-UHFFFAOYSA-N
Compound name
3-(2-chloro-6-methylphenyl)-1-[(4-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.13748 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.14476 197.3
[M+Na]+ 428.12670 210.0
[M+NH4]+ 423.17130 205.2
[M+K]+ 444.10064 202.5
[M-H]- 404.13020 203.5
[M+Na-2H]- 426.11215 205.0
[M]+ 405.13693 201.4
[M]- 405.13803 201.4
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.