CID 3073739

151921-18-5

Structural Information

Molecular Formula
C22H24N4O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)(C)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H24N4O3/c1-15-18(20(28)26(25(15)4)17-13-9-6-10-14-17)23-21(29)22(2,3)24-19(27)16-11-7-5-8-12-16/h5-14H,1-4H3,(H,23,29)(H,24,27)
InChIKey
NZGQWUDTHSPUIG-UHFFFAOYSA-N
Compound name
N-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-methyl-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.18484 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.19212 194.8
[M+Na]+ 415.17406 201.0
[M-H]- 391.17756 202.9
[M+NH4]+ 410.21866 204.3
[M+K]+ 431.14800 196.5
[M+H-H2O]+ 375.18210 184.8
[M+HCOO]- 437.18304 215.4
[M+CH3COO]- 451.19869 226.6
[M+Na-2H]- 413.15951 195.7
[M]+ 392.18429 196.2
[M]- 392.18539 196.2
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.