CID 3766586

2-(tributylstannyl)-1,3-benzoxazole

Structural Information

Molecular Formula
C19H31NOSn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=NC2=CC=CC=C2O1
InChI
InChI=1S/C7H4NO.3C4H9.Sn/c1-2-4-7-6(3-1)8-5-9-7;3*1-3-4-2;/h1-4H;3*1,3-4H2,2H3;
InChIKey
RXRSGOBSSXLBES-UHFFFAOYSA-N
Compound name
1,3-benzoxazol-2-yl(tributyl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

409.14276 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.15004 200.3
[M+Na]+ 432.13198 205.9
[M-H]- 408.13548 202.3
[M+NH4]+ 427.17658 214.9
[M+K]+ 448.10592 201.6
[M+H-H2O]+ 392.14002 191.7
[M+HCOO]- 454.14096 218.3
[M+CH3COO]- 468.15661 211.6
[M+Na-2H]- 430.11743 202.5
[M]+ 409.14221 207.4
[M]- 409.14331 207.4
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