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

8
Patents

436.28784 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.295116 215.5
[M+Na]+ 459.277058 220.9
[M-H]- 435.280564 225.0
[M+NH4]+ 454.321663 223.8
[M+K]+ 475.250998 212.5
[M+H-H2O]+ 419.285100 204.0
[M+HCOO]- 481.286041 230.0
[M+CH3COO]- 495.301691 232.3
[M+Na-2H]- 457.262506 214.0
[M]+ 436.28729142 214.7
[M]- 436.28838858 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