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

16
Patents

242.0822 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.089476 153.4
[M+Na]+ 265.071418 161.0
[M-H]- 241.074924 157.2
[M+NH4]+ 260.116023 171.7
[M+K]+ 281.045358 157.4
[M+H-H2O]+ 225.079460 147.7
[M+HCOO]- 287.080401 174.5
[M+CH3COO]- 301.096051 196.0
[M+Na-2H]- 263.056866 157.9
[M]+ 242.08165142 156.7
[M]- 242.08274858 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