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 204.8
[M-H]- 403.14119 204.4
[M+NH4]+ 422.18229 206.7
[M+K]+ 443.11163 199.7
[M+H-H2O]+ 387.14573 186.4
[M+HCOO]- 449.14667 214.8
[M+CH3COO]- 463.16232 228.0
[M+Na-2H]- 425.12314 191.9
[M]+ 404.14792 199.1
[M]- 404.14902 199.1
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.