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

0
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 195.6
[M+Na]+ 432.15298 198.3
[M-H]- 408.15648 200.2
[M+NH4]+ 427.19758 205.2
[M+K]+ 448.12692 195.2
[M+H-H2O]+ 392.16102 186.0
[M+HCOO]- 454.16196 216.0
[M+CH3COO]- 468.17761 223.7
[M+Na-2H]- 430.13843 196.9
[M]+ 409.16321 198.2
[M]- 409.16431 198.2
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.