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]+ 286.19138 170.7
[M+Na]+ 308.17332 178.4
[M-H]- 284.17682 175.5
[M+NH4]+ 303.21792 186.0
[M+K]+ 324.14726 174.6
[M+H-H2O]+ 268.18136 162.6
[M+HCOO]- 330.18230 191.2
[M+CH3COO]- 344.19795 205.7
[M+Na-2H]- 306.15877 172.7
[M]+ 285.18355 172.7
[M]- 285.18465 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.