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]+ 419.171376 200.0
[M+Na]+ 441.153318 208.8
[M-H]- 417.156824 208.6
[M+NH4]+ 436.197923 210.5
[M+K]+ 457.127258 203.5
[M+H-H2O]+ 401.161360 190.6
[M+HCOO]- 463.162301 218.8
[M+CH3COO]- 477.177951 230.9
[M+Na-2H]- 439.138766 195.8
[M]+ 418.16355142 203.8
[M]- 418.16464858 203.8
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.