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]+ 364.20195 189.8
[M+Na]+ 386.18389 198.3
[M-H]- 362.18739 198.2
[M+NH4]+ 381.22849 201.6
[M+K]+ 402.15783 192.9
[M+H-H2O]+ 346.19193 180.3
[M+HCOO]- 408.19287 210.1
[M+CH3COO]- 422.20852 220.4
[M+Na-2H]- 384.16934 190.2
[M]+ 363.19412 192.3
[M]- 363.19522 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.