CID 22406223

152015-94-6

Structural Information

Molecular Formula
C31H36N2
SMILES
CC(C)(C)C1=CC=C(C=C1)/C=C/C2=NN(C(C2)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4
InChI
InChI=1S/C31H36N2/c1-30(2,3)25-17-12-23(13-18-25)14-21-27-22-29(33(32-27)28-10-8-7-9-11-28)24-15-19-26(20-16-24)31(4,5)6/h7-21,29H,22H2,1-6H3/b21-14+
InChIKey
SPWKWJJGNIAWJJ-KGENOOAVSA-N
Compound name
3-(4-tert-butylphenyl)-5-[(E)-2-(4-tert-butylphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

436.28784 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.29512 215.5
[M+Na]+ 459.27706 220.9
[M-H]- 435.28056 225.0
[M+NH4]+ 454.32166 223.8
[M+K]+ 475.25100 212.5
[M+H-H2O]+ 419.28510 204.0
[M+HCOO]- 481.28604 230.0
[M+CH3COO]- 495.30169 232.3
[M+Na-2H]- 457.26251 214.0
[M]+ 436.28729 214.7
[M]- 436.28839 214.7
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

patents stripe