CID 4157554

3-(3-chloro-4-methylphenyl)-1,1-dipropylurea

Structural Information

Molecular Formula
C14H21ClN2O
SMILES
CCCN(CCC)C(=O)NC1=CC(=C(C=C1)C)Cl
InChI
InChI=1S/C14H21ClN2O/c1-4-8-17(9-5-2)14(18)16-12-7-6-11(3)13(15)10-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKey
NDIBERNMNBESDB-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methylphenyl)-1,1-dipropylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.13425 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.141526 164.7
[M+Na]+ 291.123468 171.2
[M-H]- 267.126974 169.4
[M+NH4]+ 286.168073 182.6
[M+K]+ 307.097408 167.8
[M+H-H2O]+ 251.131510 158.5
[M+HCOO]- 313.132451 185.0
[M+CH3COO]- 327.148101 206.3
[M+Na-2H]- 289.108916 166.7
[M]+ 268.13370142 169.0
[M]- 268.13479858 169.0
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