CID 491198

Schembl7011543

Structural Information

Molecular Formula
C33H37N5O5
SMILES
CC(C)(CO)NC(=O)[C@H](CC1=CNC2=C1C=C(C=C2)O)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=COC=C5)C6CCCCC6
InChI
InChI=1S/C33H37N5O5/c1-33(2,19-39)37-32(42)28(15-22-17-34-26-10-9-24(40)16-25(22)26)36-31(41)20-8-11-29-27(14-20)35-30(21-12-13-43-18-21)38(29)23-6-4-3-5-7-23/h8-14,16-18,23,28,34,39-40H,3-7,15,19H2,1-2H3,(H,36,41)(H,37,42)/t28-/m0/s1
InChIKey
GWFBDTIVMMJVPU-NDEPHWFRSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-3-(5-hydroxy-1H-indol-3-yl)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

583.2795 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.28678 229.2
[M+Na]+ 606.26872 229.9
[M-H]- 582.27222 238.3
[M+NH4]+ 601.31332 230.9
[M+K]+ 622.24266 226.6
[M+H-H2O]+ 566.27676 221.2
[M+HCOO]- 628.27770 239.3
[M+CH3COO]- 642.29335 233.4
[M+Na-2H]- 604.25417 225.7
[M]+ 583.27895 229.4
[M]- 583.28005 229.4
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.