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]+ 455.20778 211.5
[M+Na]+ 477.18972 224.4
[M+NH4]+ 472.23432 216.2
[M+K]+ 493.16366 219.2
[M-H]- 453.19322 218.2
[M+Na-2H]- 475.17517 221.0
[M]+ 454.19995 215.0
[M]- 454.20105 215.0
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.