CID 1272408

300568-58-5

Structural Information

Molecular Formula
C22H25N3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C22H25N3O2/c1-15-19(21(27)25(24(15)5)18-9-7-6-8-10-18)23-20(26)16-11-13-17(14-12-16)22(2,3)4/h6-14H,1-5H3,(H,23,26)
InChIKey
MVFPNNMKILSAFV-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.19467 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.201946 189.8
[M+Na]+ 386.183888 198.3
[M-H]- 362.187394 198.2
[M+NH4]+ 381.228493 201.6
[M+K]+ 402.157828 192.9
[M+H-H2O]+ 346.191930 180.3
[M+HCOO]- 408.192871 210.1
[M+CH3COO]- 422.208521 220.4
[M+Na-2H]- 384.169336 190.2
[M]+ 363.19412142 192.3
[M]- 363.19521858 192.3
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.