CID 108884

60078-97-9

Structural Information

Molecular Formula
C18H20N2
SMILES
CC1=CC(=C(C(=C1)C)C2=NN(CC2)C3=CC=CC=C3)C
InChI
InChI=1S/C18H20N2/c1-13-11-14(2)18(15(3)12-13)17-9-10-20(19-17)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3
InChIKey
BJEAUUFMQKUXAX-UHFFFAOYSA-N
Compound name
2-phenyl-5-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

264.16266 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16994 163.2
[M+Na]+ 287.15188 172.2
[M-H]- 263.15538 170.8
[M+NH4]+ 282.19648 179.3
[M+K]+ 303.12582 166.6
[M+H-H2O]+ 247.15992 153.9
[M+HCOO]- 309.16086 184.4
[M+CH3COO]- 323.17651 175.4
[M+Na-2H]- 285.13733 164.8
[M]+ 264.16211 163.0
[M]- 264.16321 163.0
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.