CID 486240

4-nitroso-3-phenyl-1-(3-phenylquinoxalin-2-yl)pyrazol-5-ol

Structural Information

Molecular Formula
C23H15N5O2
SMILES
C1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5)N=O
InChI
InChI=1S/C23H15N5O2/c29-23-21(27-30)19(15-9-3-1-4-10-15)26-28(23)22-20(16-11-5-2-6-12-16)24-17-13-7-8-14-18(17)25-22/h1-14,26H
InChIKey
RKKMCNWUPNLORU-UHFFFAOYSA-N
Compound name
4-nitroso-5-phenyl-2-(3-phenylquinoxalin-2-yl)-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.1226 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.12988 194.0
[M+Na]+ 416.11182 205.0
[M-H]- 392.11532 203.8
[M+NH4]+ 411.15642 201.3
[M+K]+ 432.08576 196.0
[M+H-H2O]+ 376.11986 180.7
[M+HCOO]- 438.12080 215.3
[M+CH3COO]- 452.13645 203.8
[M+Na-2H]- 414.09727 199.7
[M]+ 393.12205 195.9
[M]- 393.12315 195.9
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.