CID 374211

Nsc651701

Structural Information

Molecular Formula
C19H16N4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NN=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C19H16N4O2/c1-13-16(18-21-20-17(25-18)14-9-5-3-6-10-14)19(24)23(22(13)2)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKey
RYRSILNKRKLDCH-UHFFFAOYSA-N
Compound name
1,5-dimethyl-2-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.12732 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13460 176.4
[M+Na]+ 355.11654 188.9
[M-H]- 331.12004 186.9
[M+NH4]+ 350.16114 187.0
[M+K]+ 371.09048 183.5
[M+H-H2O]+ 315.12458 165.7
[M+HCOO]- 377.12552 198.6
[M+CH3COO]- 391.14117 188.8
[M+Na-2H]- 353.10199 177.6
[M]+ 332.12677 181.6
[M]- 332.12787 181.6
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.