CID 483689

3-(1h-indol-3-yl)-2-(triphenylstannylamino)propanoic acid

Structural Information

Molecular Formula
C29H26N2O2Sn
SMILES
C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)NC(CC4=CNC5=CC=CC=C54)C(=O)O
InChI
InChI=1S/C11H11N2O2.3C6H5.Sn/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;3*1-2-4-6-5-3-1;/h1-4,6,9,12-13H,5H2,(H,14,15);3*1-5H;/q-1;;;;+1
InChIKey
IWFNWSIPAYTHGY-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)-2-(triphenylstannylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.1016 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.10888 224.7
[M+Na]+ 577.09082 226.4
[M-H]- 553.09432 232.5
[M+NH4]+ 572.13542 230.1
[M+K]+ 593.06476 217.9
[M+H-H2O]+ 537.09886 212.7
[M+HCOO]- 599.09980 239.9
[M+CH3COO]- 613.11545 229.7
[M+Na-2H]- 575.07627 226.2
[M]+ 554.10105 221.3
[M]- 554.10215 221.3
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.