CID 374212

Nsc651702

Structural Information

Molecular Formula
C20H18N4O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NN=C(O3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C20H18N4O3/c1-13-17(20(25)24(23(13)2)15-7-5-4-6-8-15)19-22-21-18(27-19)14-9-11-16(26-3)12-10-14/h4-12H,1-3H3
InChIKey
MCNUDOMMWCXLIU-UHFFFAOYSA-N
Compound name
4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.13788 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14516 184.1
[M+Na]+ 385.12710 196.7
[M-H]- 361.13060 194.9
[M+NH4]+ 380.17170 193.7
[M+K]+ 401.10104 191.9
[M+H-H2O]+ 345.13514 173.4
[M+HCOO]- 407.13608 206.1
[M+CH3COO]- 421.15173 196.2
[M+Na-2H]- 383.11255 184.2
[M]+ 362.13733 191.3
[M]- 362.13843 191.3
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.