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]+ 492.170116 221.6
[M+Na]+ 514.152058 224.2
[M-H]- 490.155564 220.6
[M+NH4]+ 509.196663 232.1
[M+K]+ 530.125998 220.2
[M+H-H2O]+ 474.160100 212.4
[M+HCOO]- 536.161041 231.8
[M+CH3COO]- 550.176691 225.9
[M+Na-2H]- 512.137506 217.5
[M]+ 491.16229142 229.2
[M]- 491.16338858 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.