CID 3060908

C 3182

Structural Information

Molecular Formula
C14H22ClN3O
SMILES
CCN(CC)CCNC(=O)NC1=C(C=CC=C1Cl)C
InChI
InChI=1S/C14H22ClN3O/c1-4-18(5-2)10-9-16-14(19)17-13-11(3)7-6-8-12(13)15/h6-8H,4-5,9-10H2,1-3H3,(H2,16,17,19)
InChIKey
PPLBBMRSTIIKLJ-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-methylphenyl)-3-[2-(diethylamino)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.14514 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.15242 169.4
[M+Na]+ 306.13436 175.0
[M-H]- 282.13786 174.0
[M+NH4]+ 301.17896 186.3
[M+K]+ 322.10830 171.7
[M+H-H2O]+ 266.14240 162.7
[M+HCOO]- 328.14334 190.8
[M+CH3COO]- 342.15899 211.4
[M+Na-2H]- 304.11981 171.7
[M]+ 283.14459 173.0
[M]- 283.14569 173.0
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

patents stripe