CID 293488

Urea, 1-(2-chloroethyl)-3-(p-dimethylaminophenyl)-

Structural Information

Molecular Formula
C11H16ClN3O
SMILES
CN(C)C1=CC=C(C=C1)NC(=O)NCCCl
InChI
InChI=1S/C11H16ClN3O/c1-15(2)10-5-3-9(4-6-10)14-11(16)13-8-7-12/h3-6H,7-8H2,1-2H3,(H2,13,14,16)
InChIKey
IXVYGUGUBGAJLW-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-[4-(dimethylamino)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.09819 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.10547 154.5
[M+Na]+ 264.08741 164.8
[M+NH4]+ 259.13201 162.3
[M+K]+ 280.06135 158.4
[M-H]- 240.09091 157.9
[M+Na-2H]- 262.07286 160.8
[M]+ 241.09764 156.9
[M]- 241.09874 156.9
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.