CID 118034

Brn 0819178

Structural Information

Molecular Formula
C17H25ClN2O
SMILES
CCC1(CNC(=NC1)C(C2=CC=C(C=C2)Cl)OCC)CC
InChI
InChI=1S/C17H25ClN2O/c1-4-17(5-2)11-19-16(20-12-17)15(21-6-3)13-7-9-14(18)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,19,20)
InChIKey
VQNPKMSZUMKNOO-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)-ethoxymethyl]-5,5-diethyl-4,6-dihydro-1H-pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.16553 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17281 173.3
[M+Na]+ 331.15475 179.3
[M-H]- 307.15825 174.9
[M+NH4]+ 326.19935 187.5
[M+K]+ 347.12869 173.5
[M+H-H2O]+ 291.16279 165.0
[M+HCOO]- 353.16373 184.2
[M+CH3COO]- 367.17938 202.7
[M+Na-2H]- 329.14020 175.4
[M]+ 308.16498 173.6
[M]- 308.16608 173.6
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.