CID 502192

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

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CCCCCC1=NN2C(CC(=O)NC2=N1)C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H22N4O2/c1-3-4-5-6-15-18-17-19-16(22)11-14(21(17)20-15)12-7-9-13(23-2)10-8-12/h7-10,14H,3-6,11H2,1-2H3,(H,18,19,20,22)
InChIKey
HMRAPPHFKBWQRQ-UHFFFAOYSA-N
Compound name
7-(4-methoxyphenyl)-2-pentyl-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

314.1743 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 177.9
[M+Na]+ 337.16352 185.7
[M-H]- 313.16702 178.6
[M+NH4]+ 332.20812 189.2
[M+K]+ 353.13746 179.8
[M+H-H2O]+ 297.17156 167.5
[M+HCOO]- 359.17250 192.5
[M+CH3COO]- 373.18815 205.6
[M+Na-2H]- 335.14897 178.9
[M]+ 314.17375 178.4
[M]- 314.17485 178.4
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.