CID 54710

81217-02-9

Structural Information

Molecular Formula
C22H20N4O4
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C22H20N4O4/c1-13-18(22(30)26(24(13)3)15-9-5-4-6-10-15)23-19(27)14(2)25-20(28)16-11-7-8-12-17(16)21(25)29/h4-12,14H,1-3H3,(H,23,27)
InChIKey
QABWXOJYSXLKMZ-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

404.14847 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15575 195.6
[M+Na]+ 427.13769 207.8
[M+NH4]+ 422.18229 200.0
[M+K]+ 443.11163 206.5
[M-H]- 403.14119 198.4
[M+Na-2H]- 425.12314 200.1
[M]+ 404.14792 197.7
[M]- 404.14902 197.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.