CID 118060

Brn 0814709

Structural Information

Molecular Formula
C16H23ClN2O
SMILES
CCC1(CNC(=NC1)C(C2=CC=C(C=C2)Cl)OCC)C
InChI
InChI=1S/C16H23ClN2O/c1-4-16(3)10-18-15(19-11-16)14(20-5-2)12-6-8-13(17)9-7-12/h6-9,14H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKey
IEFJIDVVCUPGAG-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)-ethoxymethyl]-5-ethyl-5-methyl-4,6-dihydro-1H-pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1499 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15718 168.8
[M+Na]+ 317.13912 175.3
[M-H]- 293.14262 170.6
[M+NH4]+ 312.18372 183.6
[M+K]+ 333.11306 169.8
[M+H-H2O]+ 277.14716 160.8
[M+HCOO]- 339.14810 180.2
[M+CH3COO]- 353.16375 199.8
[M+Na-2H]- 315.12457 171.5
[M]+ 294.14935 168.8
[M]- 294.15045 168.8
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

patents stripe