CID 435381

93745-58-5

Structural Information

Molecular Formula
C17H12N4O
SMILES
C1=CC=C(C=C1)C2=CC3=NC(=C(N3N2)N=O)C4=CC=CC=C4
InChI
InChI=1S/C17H12N4O/c22-20-17-16(13-9-5-2-6-10-13)18-15-11-14(19-21(15)17)12-7-3-1-4-8-12/h1-11,19H
InChIKey
GMGRCWALKVWPQH-UHFFFAOYSA-N
Compound name
3-nitroso-2,6-diphenyl-5H-imidazo[1,2-b]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1011 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10838 163.0
[M+Na]+ 311.09032 173.9
[M-H]- 287.09382 171.5
[M+NH4]+ 306.13492 178.6
[M+K]+ 327.06426 167.7
[M+H-H2O]+ 271.09836 153.2
[M+HCOO]- 333.09930 188.0
[M+CH3COO]- 347.11495 175.7
[M+Na-2H]- 309.07577 168.4
[M]+ 288.10055 165.3
[M]- 288.10165 165.3
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.