CID 202441

283 dl

Structural Information

Molecular Formula
C24H26N4O5
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(CCC(=O)O)NC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C24H26N4O5/c1-16-22(24(33)28(27(16)2)18-11-7-4-8-12-18)26-23(32)19(13-14-21(30)31)25-20(29)15-17-9-5-3-6-10-17/h3-12,19H,13-15H2,1-2H3,(H,25,29)(H,26,32)(H,30,31)
InChIKey
XVKUQMRBQOTSQN-UHFFFAOYSA-N
Compound name
5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.1903 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.19758 206.7
[M+Na]+ 473.17952 210.2
[M-H]- 449.18302 213.0
[M+NH4]+ 468.22412 212.5
[M+K]+ 489.15346 206.4
[M+H-H2O]+ 433.18756 196.1
[M+HCOO]- 495.18850 225.4
[M+CH3COO]- 509.20415 235.6
[M+Na-2H]- 471.16497 203.5
[M]+ 450.18975 208.4
[M]- 450.19085 208.4
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.