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]+ 407.20778 198.5
[M+Na]+ 429.18972 209.1
[M+NH4]+ 424.23432 202.7
[M+K]+ 445.16366 206.1
[M-H]- 405.19322 202.2
[M+Na-2H]- 427.17517 204.8
[M]+ 406.19995 200.6
[M]- 406.20105 200.6
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.