CID 2569597

151921-19-6

Structural Information

Molecular Formula
C27H26N4O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H26N4O3/c1-19-24(27(34)31(30(19)2)22-16-10-5-11-17-22)29-26(33)23(18-20-12-6-3-7-13-20)28-25(32)21-14-8-4-9-15-21/h3-17,23H,18H2,1-2H3,(H,28,32)(H,29,33)/t23-/m0/s1
InChIKey
VAUNQGBQPXOXMZ-QHCPKHFHSA-N
Compound name
N-[(2S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.2005 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.207776 210.3
[M+Na]+ 477.189718 214.5
[M-H]- 453.193224 220.7
[M+NH4]+ 472.234323 216.2
[M+K]+ 493.163658 208.6
[M+H-H2O]+ 437.197760 198.1
[M+HCOO]- 499.198701 230.8
[M+CH3COO]- 513.214351 237.9
[M+Na-2H]- 475.175166 208.9
[M]+ 454.19995142 210.6
[M]- 454.20104858 210.6
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.