CID 3120439

Zinc13466751

Structural Information

Molecular Formula
C20H21N5O2
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=CC=C(C=C3)N4CCOCC4
InChI
InChI=1S/C20H21N5O2/c1-15-19(20(26)25(23-15)18-5-3-2-4-6-18)22-21-16-7-9-17(10-8-16)24-11-13-27-14-12-24/h2-10,23H,11-14H2,1H3
InChIKey
BPLMVWHZMFTKIE-UHFFFAOYSA-N
Compound name
5-methyl-4-[(4-morpholin-4-ylphenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

363.16953 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.176806 186.6
[M+Na]+ 386.158748 192.8
[M-H]- 362.162254 197.2
[M+NH4]+ 381.203353 194.6
[M+K]+ 402.132688 187.9
[M+H-H2O]+ 346.166790 173.9
[M+HCOO]- 408.167731 207.1
[M+CH3COO]- 422.183381 196.0
[M+Na-2H]- 384.144196 189.3
[M]+ 363.16898142 184.4
[M]- 363.17007858 184.4
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.