CID 132327670

1391926-51-4

Structural Information

Molecular Formula
C19H37N3O2SSn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=NN=C(S1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C7H10N3O2S.3C4H9.Sn/c1-7(2,3)12-6(11)9-5-10-8-4-13-5;3*1-3-4-2;/h1-3H3,(H,9,10,11);3*1,3-4H2,2H3;
InChIKey
MQHQMWSROBMOKV-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-tributylstannyl-1,3,4-thiadiazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.16284 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.17012 216.5
[M+Na]+ 514.15206 221.7
[M+NH4]+ 509.19666 220.1
[M+K]+ 530.12600 215.8
[M-H]- 490.15556 214.2
[M+Na-2H]- 512.13751 215.7
[M]+ 491.16229 216.7
[M]- 491.16339 216.7
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.