CID 2825117

6334-24-3

Structural Information

Molecular Formula
C20H16N4O2
SMILES
CC\1=NN(C(=O)/C1=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4
InChI
InChI=1S/C20H16N4O2/c1-13-17(19(25)23(21-13)15-9-5-3-6-10-15)18-14(2)22-24(20(18)26)16-11-7-4-8-12-16/h3-12H,1-2H3/b18-17+
InChIKey
YICZCQJFRONCSB-ISLYRVAYSA-N
Compound name
(4E)-5-methyl-4-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

344.12732 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13460 182.9
[M+Na]+ 367.11654 198.0
[M+NH4]+ 362.16114 188.8
[M+K]+ 383.09048 194.4
[M-H]- 343.12004 187.6
[M+Na-2H]- 365.10199 191.2
[M]+ 344.12677 186.2
[M]- 344.12787 186.2
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

patents stripe