CID 54707

Brn 5159521

Structural Information

Molecular Formula
C23H26N4O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H26N4O3/c1-15(2)19(24-21(28)17-11-7-5-8-12-17)22(29)25-20-16(3)26(4)27(23(20)30)18-13-9-6-10-14-18/h5-15,19H,1-4H3,(H,24,28)(H,25,29)
InChIKey
WVJXWKFQYKXWRN-UHFFFAOYSA-N
Compound name
N-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.2005 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.207776 198.8
[M+Na]+ 429.189718 203.6
[M-H]- 405.193224 206.6
[M+NH4]+ 424.234323 207.5
[M+K]+ 445.163658 199.5
[M+H-H2O]+ 389.197760 188.3
[M+HCOO]- 451.198701 218.8
[M+CH3COO]- 465.214351 231.0
[M+Na-2H]- 427.175166 196.0
[M]+ 406.19995142 200.0
[M]- 406.20104858 200.0
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.