CID 626614

1,3,5-triphenylpyrazole

Structural Information

Molecular Formula
C21H16N2
SMILES
C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H16N2/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/h1-16H
InChIKey
YQDSXDPQYUXRDP-UHFFFAOYSA-N
Compound name
1,3,5-triphenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

296
Patents

296.13135 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.138626 170.0
[M+Na]+ 319.120568 178.0
[M-H]- 295.124074 180.0
[M+NH4]+ 314.165173 183.2
[M+K]+ 335.094508 170.7
[M+H-H2O]+ 279.128610 158.8
[M+HCOO]- 341.129551 192.5
[M+CH3COO]- 355.145201 181.3
[M+Na-2H]- 317.106016 174.5
[M]+ 296.13080142 168.5
[M]- 296.13189858 168.5
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