CID 502195

2-cyclohexyl-7-(4-methoxyphenyl)-6,7-dihydro-4h-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

Structural Information

Molecular Formula
C18H22N4O2
SMILES
COC1=CC=C(C=C1)C2CC(=O)NC3=NC(=NN23)C4CCCCC4
InChI
InChI=1S/C18H22N4O2/c1-24-14-9-7-12(8-10-14)15-11-16(23)19-18-20-17(21-22(15)18)13-5-3-2-4-6-13/h7-10,13,15H,2-6,11H2,1H3,(H,19,20,21,23)
InChIKey
WVVKWFQKHIRPIS-UHFFFAOYSA-N
Compound name
2-cyclohexyl-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.1743 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18158 180.3
[M+Na]+ 349.16352 185.8
[M-H]- 325.16702 183.2
[M+NH4]+ 344.20812 190.1
[M+K]+ 365.13746 179.5
[M+H-H2O]+ 309.17156 168.6
[M+HCOO]- 371.17250 191.4
[M+CH3COO]- 385.18815 187.9
[M+Na-2H]- 347.14897 179.8
[M]+ 326.17375 174.2
[M]- 326.17485 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.