CID 54705

Brn 5150922

Structural Information

Molecular Formula
C21H22N4O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H22N4O3/c1-14(22-20(27)16-10-6-4-7-11-16)19(26)23-18-15(2)24(3)25(21(18)28)17-12-8-5-9-13-17/h4-14H,1-3H3,(H,22,27)(H,23,26)
InChIKey
SYYYSWYBNFXQPN-UHFFFAOYSA-N
Compound name
N-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1692 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17648 190.6
[M+Na]+ 401.15842 202.0
[M+NH4]+ 396.20302 195.2
[M+K]+ 417.13236 198.6
[M-H]- 377.16192 194.6
[M+Na-2H]- 399.14387 197.6
[M]+ 378.16865 193.0
[M]- 378.16975 193.0
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.