CID 502198

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

Structural Information

Molecular Formula
C22H18N4O2
SMILES
COC1=CC=C(C=C1)C2CC(=O)NC3=NC(=NN23)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C22H18N4O2/c1-28-18-10-8-15(9-11-18)19-13-20(27)23-22-24-21(25-26(19)22)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,19H,13H2,1H3,(H,23,24,25,27)
InChIKey
NHXCUWVDQOUKPB-UHFFFAOYSA-N
Compound name
7-(4-methoxyphenyl)-2-naphthalen-2-yl-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

370.14297 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15025 190.3
[M+Na]+ 393.13219 200.0
[M-H]- 369.13569 195.7
[M+NH4]+ 388.17679 199.5
[M+K]+ 409.10613 191.4
[M+H-H2O]+ 353.14023 178.0
[M+HCOO]- 415.14117 205.1
[M+CH3COO]- 429.15682 199.0
[M+Na-2H]- 391.11764 193.7
[M]+ 370.14242 190.1
[M]- 370.14352 190.1
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.