CID 3060914

C 3214

Structural Information

Molecular Formula
C15H24ClN3O
SMILES
CCN(CC)CCCNC(=O)NC1=C(C=CC=C1Cl)C
InChI
InChI=1S/C15H24ClN3O/c1-4-19(5-2)11-7-10-17-15(20)18-14-12(3)8-6-9-13(14)16/h6,8-9H,4-5,7,10-11H2,1-3H3,(H2,17,18,20)
InChIKey
KSBAJWYKYZWGES-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1608 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16808 174.0
[M+Na]+ 320.15002 179.2
[M-H]- 296.15352 178.4
[M+NH4]+ 315.19462 190.3
[M+K]+ 336.12396 175.6
[M+H-H2O]+ 280.15806 167.1
[M+HCOO]- 342.15900 195.0
[M+CH3COO]- 356.17465 214.4
[M+Na-2H]- 318.13547 175.7
[M]+ 297.16025 177.9
[M]- 297.16135 177.9
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

patents stripe