CID 16683923

2-[[[2-amino-3-(1h-indol-3-yl)propanoyl]oxy-dibutyl-stannyl]amino]-3-(1h-indol-3-yl)propanoic acid

Structural Information

Molecular Formula
C30H40N4O4Sn
SMILES
CCCC[Sn](CCCC)(NC(CC1=CNC2=CC=CC=C21)C(=O)O)OC(=O)C(CC3=CNC4=CC=CC=C43)N
InChI
InChI=1S/C11H12N2O2.C11H11N2O2.2C4H9.Sn/c2*12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;2*1-3-4-2;/h1-4,6,9,13H,5,12H2,(H,14,15);1-4,6,9,12-13H,5H2,(H,14,15);2*1,3-4H2,2H3;/q;-1;;;+2/p-1
InChIKey
CKBXAPQZWWILAP-UHFFFAOYSA-M
Compound name
2-[[[2-amino-3-(1H-indol-3-yl)propanoyl]oxy-dibutylstannyl]amino]-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

640.20715 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.21443 248.6
[M+Na]+ 663.19637 247.6
[M-H]- 639.19987 248.9
[M+NH4]+ 658.24097 252.0
[M+K]+ 679.17031 241.7
[M+H-H2O]+ 623.20441 238.7
[M+HCOO]- 685.20535 259.5
[M+CH3COO]- 699.22100 250.9
[M+Na-2H]- 661.18182 244.2
[M]+ 640.20660 250.4
[M]- 640.20770 250.4
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.