CID 118053

33235-96-0

Structural Information

Molecular Formula
C13H16Cl2N2O
SMILES
CCOC(C1=CC(=C(C=C1)Cl)Cl)C2=NCCCN2
InChI
InChI=1S/C13H16Cl2N2O/c1-2-18-12(13-16-6-3-7-17-13)9-4-5-10(14)11(15)8-9/h4-5,8,12H,2-3,6-7H2,1H3,(H,16,17)
InChIKey
KWYDMASCDYCJRP-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)-ethoxymethyl]-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.06396 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.071236 161.0
[M+Na]+ 309.053178 168.0
[M-H]- 285.056684 162.0
[M+NH4]+ 304.097783 174.4
[M+K]+ 325.027118 161.7
[M+H-H2O]+ 269.061220 153.3
[M+HCOO]- 331.062161 168.0
[M+CH3COO]- 345.077811 195.8
[M+Na-2H]- 307.038626 163.3
[M]+ 286.06341142 160.7
[M]- 286.06450858 160.7
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

No patent data available for this compound.