CID 95937

Luminor 8

Structural Information

Molecular Formula
C21H18N2
SMILES
C1C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H18N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-15,21H,16H2
InChIKey
FGCZQOHSWGMVPN-UHFFFAOYSA-N
Compound name
2,3,5-triphenyl-3,4-dihydropyrazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

555
Patents

298.147 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.154276 171.0
[M+Na]+ 321.136218 177.9
[M-H]- 297.139724 180.7
[M+NH4]+ 316.180823 184.1
[M+K]+ 337.110158 170.8
[M+H-H2O]+ 281.144260 159.7
[M+HCOO]- 343.145201 192.1
[M+CH3COO]- 357.160851 181.8
[M+Na-2H]- 319.121666 174.5
[M]+ 298.14645142 168.1
[M]- 298.14754858 168.1
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