CID 3060916

C 3213

Structural Information

Molecular Formula
C12H18ClN3O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)NCCN(C)C
InChI
InChI=1S/C12H18ClN3O/c1-9-5-4-6-10(13)11(9)15-12(17)14-7-8-16(2)3/h4-6H,7-8H2,1-3H3,(H2,14,15,17)
InChIKey
CNOPQRWADJXWRE-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-methylphenyl)-3-[2-(dimethylamino)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.11385 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12113 160.2
[M+Na]+ 278.10307 166.7
[M-H]- 254.10657 165.2
[M+NH4]+ 273.14767 178.3
[M+K]+ 294.07701 163.8
[M+H-H2O]+ 238.11111 153.9
[M+HCOO]- 300.11205 182.2
[M+CH3COO]- 314.12770 205.4
[M+Na-2H]- 276.08852 163.5
[M]+ 255.11330 163.0
[M]- 255.11440 163.0
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

No patent data available for this compound.