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]+ 451.197576 206.7
[M+Na]+ 473.179518 210.2
[M-H]- 449.183024 213.0
[M+NH4]+ 468.224123 212.5
[M+K]+ 489.153458 206.4
[M+H-H2O]+ 433.187560 196.1
[M+HCOO]- 495.188501 225.4
[M+CH3COO]- 509.204151 235.6
[M+Na-2H]- 471.164966 203.5
[M]+ 450.18975142 208.4
[M]- 450.19084858 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.