CID 16074233

1h-pyrazole-1-acetamide, 5-[[[(1s,2s)-2-(phenylmethoxy)cyclohexyl]amino]carbonyl]-n-[2-(phenylmethoxy)phenyl]-

Structural Information

Molecular Formula
C32H34N4O4
SMILES
C1CC[C@@H]([C@H](C1)NC(=O)C2=CC=NN2CC(=O)NC3=CC=CC=C3OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C32H34N4O4/c37-31(34-26-15-7-9-17-29(26)39-22-24-11-3-1-4-12-24)21-36-28(19-20-33-36)32(38)35-27-16-8-10-18-30(27)40-23-25-13-5-2-6-14-25/h1-7,9,11-15,17,19-20,27,30H,8,10,16,18,21-23H2,(H,34,37)(H,35,38)/t27-,30-/m0/s1
InChIKey
IRYUSROZYCTMQG-FIBWVYCGSA-N
Compound name
2-[2-oxo-2-(2-phenylmethoxyanilino)ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.258 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.26528 226.0
[M+Na]+ 561.24722 224.7
[M-H]- 537.25072 236.8
[M+NH4]+ 556.29182 227.0
[M+K]+ 577.22116 219.0
[M+H-H2O]+ 521.25526 211.5
[M+HCOO]- 583.25620 242.4
[M+CH3COO]- 597.27185 230.2
[M+Na-2H]- 559.23267 223.9
[M]+ 538.25745 222.9
[M]- 538.25855 222.9
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.