CID 132327670

Tert-butyl n-[5-(tributylstannyl)-1,3,4-thiadiazol-2-yl]carbamate

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 221.6
[M+Na]+ 514.15206 224.2
[M-H]- 490.15556 220.6
[M+NH4]+ 509.19666 232.1
[M+K]+ 530.12600 220.2
[M+H-H2O]+ 474.16010 212.4
[M+HCOO]- 536.16104 231.8
[M+CH3COO]- 550.17669 225.9
[M+Na-2H]- 512.13751 217.5
[M]+ 491.16229 229.2
[M]- 491.16339 229.2
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.