CID 3038284

Brn 1165061

Structural Information

Molecular Formula
C20H19N3O2
SMILES
C1COCCN1/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H19N3O2/c24-20-18(15-22-11-13-25-14-12-22)19(16-7-3-1-4-8-16)21-23(20)17-9-5-2-6-10-17/h1-10,15H,11-14H2/b18-15-
InChIKey
CUPOMUMCRLEFOB-SDXDJHTJSA-N
Compound name
(4Z)-4-(morpholin-4-ylmethylidene)-2,5-diphenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.14774 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 180.4
[M+Na]+ 356.13696 186.1
[M-H]- 332.14046 188.8
[M+NH4]+ 351.18156 189.1
[M+K]+ 372.11090 180.7
[M+H-H2O]+ 316.14500 168.3
[M+HCOO]- 378.14594 196.0
[M+CH3COO]- 392.16159 189.4
[M+Na-2H]- 354.12241 180.8
[M]+ 333.14719 175.6
[M]- 333.14829 175.6
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.