CID 5087043

30492-98-9

Structural Information

Molecular Formula
C21H22N2
SMILES
C1CCCC2=C(CC1)C(N=N2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H22N2/c1-2-10-16-20-19(15-9-1)21(23-22-20,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2
InChIKey
FJWOHVDECYKNRI-UHFFFAOYSA-N
Compound name
3,3-diphenyl-4,5,6,7,8,9-hexahydrocycloocta[c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.17828 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18556 171.1
[M+Na]+ 325.16750 175.3
[M-H]- 301.17100 174.4
[M+NH4]+ 320.21210 178.2
[M+K]+ 341.14144 173.3
[M+H-H2O]+ 285.17554 165.0
[M+HCOO]- 347.17648 178.8
[M+CH3COO]- 361.19213 174.6
[M+Na-2H]- 323.15295 170.2
[M]+ 302.17773 168.9
[M]- 302.17883 168.9
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.