CID 16683141

Nsc628577

Structural Information

Molecular Formula
C22H32N2O2Sn
SMILES
CCCC[Sn]1(N(CCNC2=CC=CC=C2O1)C3=CC=CC=C3O)CCCC
InChI
InChI=1S/C14H15N2O2.2C4H9.Sn/c17-13-7-3-1-5-11(13)15-9-10-16-12-6-2-4-8-14(12)18;2*1-3-4-2;/h1-8,15,17-18H,9-10H2;2*1,3-4H2,2H3;/q-1;;;+2/p-1
InChIKey
BTPJVKSGKIHNCX-UHFFFAOYSA-M
Compound name
2-(2,2-dibutyl-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

476.1486 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.15588 189.0
[M+Na]+ 499.13782 192.4
[M-H]- 475.14132 189.5
[M+NH4]+ 494.18242 193.0
[M+K]+ 515.11176 190.4
[M+H-H2O]+ 459.14586 182.8
[M+HCOO]- 521.14680 193.4
[M+CH3COO]- 535.16245 190.5
[M+Na-2H]- 497.12327 186.5
[M]+ 476.14805 188.1
[M]- 476.14915 188.1
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.