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 200.4
[M+Na]+ 448.23592 213.1
[M+NH4]+ 443.28052 212.4
[M+K]+ 464.20986 203.3
[M-H]- 424.23942 204.7
[M+Na-2H]- 446.22137 202.5
[M]+ 425.24615 203.7
[M]- 425.24725 203.7
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