CID 3060920

C 3229

Structural Information

Molecular Formula
C13H20ClN3O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)NCCCN(C)C
InChI
InChI=1S/C13H20ClN3O/c1-10-6-4-7-11(14)12(10)16-13(18)15-8-5-9-17(2)3/h4,6-7H,5,8-9H2,1-3H3,(H2,15,16,18)
InChIKey
HSISARCUHYKTBU-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-methylphenyl)-3-[3-(dimethylamino)propyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1295 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13678 164.8
[M+Na]+ 292.11872 170.9
[M-H]- 268.12222 169.6
[M+NH4]+ 287.16332 182.3
[M+K]+ 308.09266 167.7
[M+H-H2O]+ 252.12676 158.3
[M+HCOO]- 314.12770 186.5
[M+CH3COO]- 328.14335 208.4
[M+Na-2H]- 290.10417 167.6
[M]+ 269.12895 168.0
[M]- 269.13005 168.0
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