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 153.4
[M+Na]+ 265.07142 161.0
[M-H]- 241.07492 157.2
[M+NH4]+ 260.11602 171.7
[M+K]+ 281.04536 157.4
[M+H-H2O]+ 225.07946 147.7
[M+HCOO]- 287.08040 174.5
[M+CH3COO]- 301.09605 196.0
[M+Na-2H]- 263.05687 157.9
[M]+ 242.08165 156.7
[M]- 242.08275 156.7
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