CID 98718

1-(2-chloroethyl)-3-(2-methoxy-6-methylphenyl)urea

Structural Information

Molecular Formula
C11H15ClN2O2
SMILES
CC1=C(C(=CC=C1)OC)NC(=O)NCCCl
InChI
InChI=1S/C11H15ClN2O2/c1-8-4-3-5-9(16-2)10(8)14-11(15)13-7-6-12/h3-5H,6-7H2,1-2H3,(H2,13,14,15)
InChIKey
PSYZOOOPACOKKZ-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(2-methoxy-6-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

242.0822 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08948 152.8
[M+Na]+ 265.07142 164.1
[M+NH4]+ 260.11602 160.3
[M+K]+ 281.04536 157.6
[M-H]- 241.07492 155.2
[M+Na-2H]- 263.05687 158.6
[M]+ 242.08165 155.1
[M]- 242.08275 155.1
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