CID 118041

Brn 0808709

Structural Information

Molecular Formula
C14H18Cl2N2O
SMILES
CCOC(C1=CC(=C(C(=C1)C)Cl)Cl)C2=NCCCN2
InChI
InChI=1S/C14H18Cl2N2O/c1-3-19-13(14-17-5-4-6-18-14)10-7-9(2)12(16)11(15)8-10/h7-8,13H,3-6H2,1-2H3,(H,17,18)
InChIKey
UATFZPLWQAQNGN-UHFFFAOYSA-N
Compound name
2-[(3,4-dichloro-5-methylphenyl)-ethoxymethyl]-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.07962 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08690 165.5
[M+Na]+ 323.06884 173.1
[M-H]- 299.07234 166.8
[M+NH4]+ 318.11344 178.7
[M+K]+ 339.04278 166.6
[M+H-H2O]+ 283.07688 158.0
[M+HCOO]- 345.07782 172.3
[M+CH3COO]- 359.09347 199.9
[M+Na-2H]- 321.05429 166.7
[M]+ 300.07907 166.0
[M]- 300.08017 166.0
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.