CID 177370

Cam 4515

Structural Information

Molecular Formula
C29H27N3O4
SMILES
CN(CC1=CC=CC=C1)C(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC5=CC=CC=C5O4
InChI
InChI=1S/C29H27N3O4/c1-32(18-20-9-3-2-4-10-20)28(33)26(16-22-17-30-25-13-7-6-12-24(22)25)31-29(34)35-19-23-15-21-11-5-8-14-27(21)36-23/h2-15,17,26,30H,16,18-19H2,1H3,(H,31,34)/t26-/m0/s1
InChIKey
YZFHBXJAFDXRJU-SANMLTNESA-N
Compound name
1-benzofuran-2-ylmethyl N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

481.20016 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.20744 216.6
[M+Na]+ 504.18938 228.9
[M+NH4]+ 499.23398 222.5
[M+K]+ 520.16332 225.6
[M-H]- 480.19288 223.8
[M+Na-2H]- 502.17483 223.7
[M]+ 481.19961 220.3
[M]- 481.20071 220.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.