CID 118043

Brn 0795354

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
CCOC(C1=CC(=CC=C1)Cl)C2=NCC(CN2)C
InChI
InChI=1S/C14H19ClN2O/c1-3-18-13(11-5-4-6-12(15)7-11)14-16-8-10(2)9-17-14/h4-7,10,13H,3,8-9H2,1-2H3,(H,16,17)
InChIKey
YYNQIESSVFTICM-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)-ethoxymethyl]-5-methyl-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1186 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12588 161.4
[M+Na]+ 289.10782 175.3
[M+NH4]+ 284.15242 169.5
[M+K]+ 305.08176 167.5
[M-H]- 265.11132 164.4
[M+Na-2H]- 287.09327 168.6
[M]+ 266.11805 164.5
[M]- 266.11915 164.5
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.