CID 16683142

Nsc628578

Structural Information

Molecular Formula
C26H24N2O2Sn
SMILES
C1CN([Sn](OC2=CC=CC=C2N1)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5O
InChI
InChI=1S/C14H15N2O2.2C6H5.Sn/c17-13-7-3-1-5-11(13)15-9-10-16-12-6-2-4-8-14(12)18;2*1-2-4-6-5-3-1;/h1-8,15,17-18H,9-10H2;2*1-5H;/q-1;;;+2/p-1
InChIKey
DJGLESFTXNOULP-UHFFFAOYSA-M
Compound name
2-(2,2-diphenyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.09328 188.0
[M+Na]+ 539.07522 191.4
[M-H]- 515.07872 191.1
[M+NH4]+ 534.11982 190.4
[M+K]+ 555.04916 188.7
[M+H-H2O]+ 499.08326 180.4
[M+HCOO]- 561.08420 192.7
[M+CH3COO]- 575.09985 189.5
[M+Na-2H]- 537.06067 186.6
[M]+ 516.08545 185.1
[M]- 516.08655 185.1
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.