CID 54711

81217-03-0

Structural Information

Molecular Formula
C23H22N4O4
SMILES
CCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)N3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C23H22N4O4/c1-4-18(26-21(29)16-12-8-9-13-17(16)22(26)30)20(28)24-19-14(2)25(3)27(23(19)31)15-10-6-5-7-11-15/h5-13,18H,4H2,1-3H3,(H,24,28)
InChIKey
ZCSBLODOKMSEQP-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1641 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17138 199.9
[M+Na]+ 441.15332 211.9
[M+NH4]+ 436.19792 204.1
[M+K]+ 457.12726 210.4
[M-H]- 417.15682 202.7
[M+Na-2H]- 439.13877 204.2
[M]+ 418.16355 202.0
[M]- 418.16465 202.0
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.