CID 294252

102433-38-5

Structural Information

Molecular Formula
C11H15ClN2O3
SMILES
COC1=CC=CC(=C1OC)NC(=O)NCCCl
InChI
InChI=1S/C11H15ClN2O3/c1-16-9-5-3-4-8(10(9)17-2)14-11(15)13-7-6-12/h3-5H,6-7H2,1-2H3,(H2,13,14,15)
InChIKey
NIJCLNDMYVQPQX-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(2,3-dimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.07712 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.084396 155.8
[M+Na]+ 281.066338 163.2
[M-H]- 257.069844 159.5
[M+NH4]+ 276.110943 173.3
[M+K]+ 297.040278 160.3
[M+H-H2O]+ 241.074380 149.8
[M+HCOO]- 303.075321 177.1
[M+CH3COO]- 317.090971 198.1
[M+Na-2H]- 279.051786 160.3
[M]+ 258.07657142 160.5
[M]- 258.07766858 160.5
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.