CID 64624

134619-54-8

Structural Information

Molecular Formula
C31H37N3O
SMILES
CCCCN(C1C2CC3CC(C2)CC1C3)C(=O)C4=C(N(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C
InChI
InChI=1S/C31H37N3O/c1-3-4-15-33(30-25-17-22-16-23(19-25)20-26(30)18-22)31(35)28-21(2)34(27-13-9-6-10-14-27)32-29(28)24-11-7-5-8-12-24/h5-14,22-23,25-26,30H,3-4,15-20H2,1-2H3
InChIKey
HPMMRLGHBHBDGJ-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)-N-butyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.29367 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.30095 209.0
[M+Na]+ 490.28289 207.0
[M-H]- 466.28639 210.6
[M+NH4]+ 485.32749 220.4
[M+K]+ 506.25683 201.0
[M+H-H2O]+ 450.29093 196.0
[M+HCOO]- 512.29187 212.7
[M+CH3COO]- 526.30752 212.4
[M+Na-2H]- 488.26834 209.5
[M]+ 467.29312 209.5
[M]- 467.29422 209.5
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.