CID 4351427

1-(3-chloro-4-methylphenyl)-1-ethyl-3-(3-ethylphenyl)urea

Structural Information

Molecular Formula
C18H21ClN2O
SMILES
CCC1=CC(=CC=C1)NC(=O)N(CC)C2=CC(=C(C=C2)C)Cl
InChI
InChI=1S/C18H21ClN2O/c1-4-14-7-6-8-15(11-14)20-18(22)21(5-2)16-10-9-13(3)17(19)12-16/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKey
XOKDREYAZDRHBU-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)-1-ethyl-3-(3-ethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13425 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.141526 176.4
[M+Na]+ 339.123468 183.4
[M-H]- 315.126974 184.4
[M+NH4]+ 334.168073 192.2
[M+K]+ 355.097408 178.6
[M+H-H2O]+ 299.131510 168.7
[M+HCOO]- 361.132451 196.8
[M+CH3COO]- 375.148101 215.1
[M+Na-2H]- 337.108916 178.3
[M]+ 316.13370142 180.2
[M]- 316.13479858 180.2
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.