CID 3060925

C 3193

Structural Information

Molecular Formula
C14H20ClN3O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)NCCN2CCCC2
InChI
InChI=1S/C14H20ClN3O/c1-11-5-4-6-12(15)13(11)17-14(19)16-7-10-18-8-2-3-9-18/h4-6H,2-3,7-10H2,1H3,(H2,16,17,19)
InChIKey
LHXSPZALKKEXRV-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-methylphenyl)-3-(2-pyrrolidin-1-ylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1295 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13678 165.8
[M+Na]+ 304.11872 175.8
[M+NH4]+ 299.16332 173.4
[M+K]+ 320.09266 170.6
[M-H]- 280.12222 169.2
[M+Na-2H]- 302.10417 171.3
[M]+ 281.12895 168.1
[M]- 281.13005 168.1
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.