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]+ 426.25398 195.6
[M+Na]+ 448.23592 195.7
[M-H]- 424.23942 198.0
[M+NH4]+ 443.28052 210.6
[M+K]+ 464.20986 190.1
[M+H-H2O]+ 408.24396 182.2
[M+HCOO]- 470.24490 200.6
[M+CH3COO]- 484.26055 200.6
[M+Na-2H]- 446.22137 199.1
[M]+ 425.24615 195.4
[M]- 425.24725 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