CID 64623

134619-52-6

Structural Information

Molecular Formula
C28H31N3O
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N(C)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C28H31N3O/c1-19-25(27(32)30(2)28-16-20-13-21(17-28)15-22(14-20)18-28)26(23-9-5-3-6-10-23)29-31(19)24-11-7-4-8-12-24/h3-12,20-22H,13-18H2,1-2H3
InChIKey
OWABYRKORBARCS-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

425.2467 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.253976 195.6
[M+Na]+ 448.235918 195.7
[M-H]- 424.239424 198.0
[M+NH4]+ 443.280523 210.6
[M+K]+ 464.209858 190.1
[M+H-H2O]+ 408.243960 182.2
[M+HCOO]- 470.244901 200.6
[M+CH3COO]- 484.260551 200.6
[M+Na-2H]- 446.221366 199.1
[M]+ 425.24615142 195.4
[M]- 425.24724858 195.4
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