CID 58153009

1025451-57-3

Structural Information

Molecular Formula
C20H24N2S3Sn2
SMILES
C[Sn](C)(C)C1=CC=C(S1)C2=CC=C(C3=NSN=C23)C4=CC=C(S4)[Sn](C)(C)C
InChI
InChI=1S/C14H6N2S3.6CH3.2Sn/c1-3-11(17-7-1)9-5-6-10(12-4-2-8-18-12)14-13(9)15-19-16-14;;;;;;;;/h1-6H;6*1H3;;
InChIKey
INHYKPMJJAWZKY-UHFFFAOYSA-N
Compound name
trimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

627.91455 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.92183 238.4
[M+Na]+ 650.90377 251.2
[M-H]- 626.90727 247.2
[M+NH4]+ 645.94837 253.4
[M+K]+ 666.87771 243.5
[M+H-H2O]+ 610.91181 233.0
[M+HCOO]- 672.91275 244.5
[M+CH3COO]- 686.92840 246.8
[M+Na-2H]- 648.88922 231.8
[M]+ 627.91400 247.4
[M]- 627.91510 247.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe