CID 491052

1h-benzimidazole-5-carboxamide, n-[(1s)-2-amino-1-[(5-hydroxy-1h-indol-3-yl)methyl]-2-oxoethyl]-2-(3-furanyl)-1-(1-methylethyl)-

Structural Information

Molecular Formula
C26H25N5O4
SMILES
CC(C)N1C2=C(C=C(C=C2)C(=O)N[C@@H](CC3=CNC4=C3C=C(C=C4)O)C(=O)N)N=C1C5=COC=C5
InChI
InChI=1S/C26H25N5O4/c1-14(2)31-23-6-3-15(9-21(23)29-25(31)16-7-8-35-13-16)26(34)30-22(24(27)33)10-17-12-28-20-5-4-18(32)11-19(17)20/h3-9,11-14,22,28,32H,10H2,1-2H3,(H2,27,33)(H,30,34)/t22-/m0/s1
InChIKey
OTCBAGMNFJADCF-QFIPXVFZSA-N
Compound name
N-[(2S)-1-amino-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-2-(furan-3-yl)-1-propan-2-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.19064 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.19792 209.5
[M+Na]+ 494.17986 215.6
[M-H]- 470.18336 218.0
[M+NH4]+ 489.22446 217.0
[M+K]+ 510.15380 212.0
[M+H-H2O]+ 454.18790 201.8
[M+HCOO]- 516.18884 226.4
[M+CH3COO]- 530.20449 217.3
[M+Na-2H]- 492.16531 205.9
[M]+ 471.19009 213.5
[M]- 471.19119 213.5
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.