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]+ 393.192116 194.8
[M+Na]+ 415.174058 201.0
[M-H]- 391.177564 202.9
[M+NH4]+ 410.218663 204.3
[M+K]+ 431.147998 196.5
[M+H-H2O]+ 375.182100 184.8
[M+HCOO]- 437.183041 215.4
[M+CH3COO]- 451.198691 226.6
[M+Na-2H]- 413.159506 195.7
[M]+ 392.18429142 196.2
[M]- 392.18538858 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.