CID 502197

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

Structural Information

Molecular Formula
C21H16N4O
SMILES
C1C(N2C(=NC(=N2)C3=CC4=CC=CC=C4C=C3)NC1=O)C5=CC=CC=C5
InChI
InChI=1S/C21H16N4O/c26-19-13-18(15-7-2-1-3-8-15)25-21(22-19)23-20(24-25)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18H,13H2,(H,22,23,24,26)
InChIKey
QSOMCTIHESNACN-UHFFFAOYSA-N
Compound name
2-naphthalen-2-yl-7-phenyl-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

340.13242 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13970 181.9
[M+Na]+ 363.12164 191.5
[M-H]- 339.12514 187.1
[M+NH4]+ 358.16624 192.2
[M+K]+ 379.09558 182.3
[M+H-H2O]+ 323.12968 169.7
[M+HCOO]- 385.13062 197.0
[M+CH3COO]- 399.14627 191.0
[M+Na-2H]- 361.10709 186.5
[M]+ 340.13187 179.7
[M]- 340.13297 179.7
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.