CID 483688

3-(1h-imidazol-4-yl)-2-(triphenylstannylamino)propanoic acid

Structural Information

Molecular Formula
C24H23N3O2Sn
SMILES
C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)NC(CC4=CN=CN4)C(=O)O
InChI
InChI=1S/C6H8N3O2.3C6H5.Sn/c7-5(6(10)11)1-4-2-8-3-9-4;3*1-2-4-6-5-3-1;/h2-3,5,7H,1H2,(H,8,9)(H,10,11);3*1-5H;/q-1;;;;+1
InChIKey
SNVUYRQDHRUOSQ-UHFFFAOYSA-N
Compound name
3-(1H-imidazol-5-yl)-2-(triphenylstannylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.08124 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.08852 211.7
[M+Na]+ 528.07046 212.6
[M-H]- 504.07396 217.4
[M+NH4]+ 523.11506 216.8
[M+K]+ 544.04440 205.2
[M+H-H2O]+ 488.07850 199.5
[M+HCOO]- 550.07944 226.6
[M+CH3COO]- 564.09509 216.9
[M+Na-2H]- 526.05591 213.0
[M]+ 505.08069 206.8
[M]- 505.08179 206.8
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.