CID 16683143

Nsc628579

Structural Information

Molecular Formula
C16H20N2O2Sn
SMILES
C[Sn]1(N(CCNC2=CC=CC=C2O1)C3=CC=CC=C3O)C
InChI
InChI=1S/C14H15N2O2.2CH3.Sn/c17-13-7-3-1-5-11(13)15-9-10-16-12-6-2-4-8-14(12)18;;;/h1-8,15,17-18H,9-10H2;2*1H3;/q-1;;;+2/p-1
InChIKey
UBIWRTQRJOFZGQ-UHFFFAOYSA-M
Compound name
2-(2,2-dimethyl-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

392.0547 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.06198 175.9
[M+Na]+ 415.04392 180.5
[M-H]- 391.04742 176.9
[M+NH4]+ 410.08852 181.4
[M+K]+ 431.01786 179.2
[M+H-H2O]+ 375.05196 170.3
[M+HCOO]- 437.05290 181.3
[M+CH3COO]- 451.06855 178.7
[M+Na-2H]- 413.02937 175.0
[M]+ 392.05415 174.2
[M]- 392.05525 174.2
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.