CID 3079314

Brn 4200590

Structural Information

Molecular Formula
C21H23N3O
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(C)(C)C
InChI
InChI=1S/C21H23N3O/c1-15-18(20(25)22-21(2,3)4)19(16-11-7-5-8-12-16)23-24(15)17-13-9-6-10-14-17/h5-14H,1-4H3,(H,22,25)
InChIKey
CULOASACBZHKKR-UHFFFAOYSA-N
Compound name
N-tert-butyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1841 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.191376 182.6
[M+Na]+ 356.173318 189.7
[M-H]- 332.176824 190.3
[M+NH4]+ 351.217923 195.2
[M+K]+ 372.147258 184.3
[M+H-H2O]+ 316.181360 172.9
[M+HCOO]- 378.182301 202.9
[M+CH3COO]- 392.197951 213.5
[M+Na-2H]- 354.158766 184.8
[M]+ 333.18355142 183.2
[M]- 333.18464858 183.2
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.