CID 3079321

Brn 4194435

Structural Information

Molecular Formula
C17H23N3O
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC(C)(C)C
InChI
InChI=1S/C17H23N3O/c1-12-15(11-16(21)18-17(3,4)5)13(2)20(19-12)14-9-7-6-8-10-14/h6-10H,11H2,1-5H3,(H,18,21)
InChIKey
SUAPPBWCVXMGNG-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1841 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.191376 170.7
[M+Na]+ 308.173318 178.4
[M-H]- 284.176824 175.5
[M+NH4]+ 303.217923 186.0
[M+K]+ 324.147258 174.6
[M+H-H2O]+ 268.181360 162.6
[M+HCOO]- 330.182301 191.2
[M+CH3COO]- 344.197951 205.7
[M+Na-2H]- 306.158766 172.7
[M]+ 285.18355142 172.7
[M]- 285.18464858 172.7
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

No patent data available for this compound.