CID 297848

Nsc169145

Structural Information

Molecular Formula
C22H23N3O5
SMILES
COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C22H23N3O5/c1-29-21(27)19(11-16-12-23-18-10-6-5-9-17(16)18)25-20(26)13-24-22(28)30-14-15-7-3-2-4-8-15/h2-10,12,19,23H,11,13-14H2,1H3,(H,24,28)(H,25,26)
InChIKey
LHXVIRURGRILGX-UHFFFAOYSA-N
Compound name
methyl 3-(1H-indol-3-yl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

409.16376 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.17104 196.7
[M+Na]+ 432.15298 205.0
[M+NH4]+ 427.19758 200.5
[M+K]+ 448.12692 202.4
[M-H]- 408.15648 198.1
[M+Na-2H]- 430.13843 201.0
[M]+ 409.16321 197.6
[M]- 409.16431 197.6
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.