CID 44206137

App-chminaca

Structural Information

Molecular Formula
C24H28N4O2
SMILES
C1CCC(CC1)CN2C3=CC=CC=C3C(=N2)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N
InChI
InChI=1S/C24H28N4O2/c25-23(29)20(15-17-9-3-1-4-10-17)26-24(30)22-19-13-7-8-14-21(19)28(27-22)16-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18,20H,2,5-6,11-12,15-16H2,(H2,25,29)(H,26,30)/t20-/m0/s1
InChIKey
DMHWDSGURMXMGE-FQEVSTJZSA-N
Compound name
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2
Patents

404.22122 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.228496 196.3
[M+Na]+ 427.210438 198.2
[M-H]- 403.213944 202.6
[M+NH4]+ 422.255043 204.9
[M+K]+ 443.184378 192.6
[M+H-H2O]+ 387.218480 185.1
[M+HCOO]- 449.219421 212.7
[M+CH3COO]- 463.235071 203.1
[M+Na-2H]- 425.195886 195.7
[M]+ 404.22067142 191.9
[M]- 404.22176858 191.9
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.