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 167.1
[M+Na]+ 304.11872 172.5
[M-H]- 280.12222 171.8
[M+NH4]+ 299.16332 183.7
[M+K]+ 320.09266 167.5
[M+H-H2O]+ 264.12676 159.3
[M+HCOO]- 326.12770 184.9
[M+CH3COO]- 340.14335 201.8
[M+Na-2H]- 302.10417 168.3
[M]+ 281.12895 166.0
[M]- 281.13005 166.0
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.