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

122
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

literature stripe

Patent stripe

patents stripe