CID 118064

33236-09-8

Structural Information

Molecular Formula
C15H21FN2O
SMILES
CCOC(C1=CC(=CC=C1)F)C2=NCC(CN2)(C)C
InChI
InChI=1S/C15H21FN2O/c1-4-19-13(11-6-5-7-12(16)8-11)14-17-9-15(2,3)10-18-14/h5-8,13H,4,9-10H2,1-3H3,(H,17,18)
InChIKey
NPQLTTSOQVUXSG-UHFFFAOYSA-N
Compound name
2-[ethoxy-(3-fluorophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1638 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17108 162.7
[M+Na]+ 287.15302 169.0
[M-H]- 263.15652 163.5
[M+NH4]+ 282.19762 177.8
[M+K]+ 303.12696 164.9
[M+H-H2O]+ 247.16106 153.4
[M+HCOO]- 309.16200 177.9
[M+CH3COO]- 323.17765 195.8
[M+Na-2H]- 285.13847 165.6
[M]+ 264.16325 159.2
[M]- 264.16435 159.2
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