CID 16683130

Nsc628565

Structural Information

Molecular Formula
C22H32N2O2Sn
SMILES
CC(C)(C)[Sn]1(N(CCNC2=CC=CC=C2O1)C3=CC=CC=C3O)C(C)(C)C
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*1-4(2)3;/h1-8,15,17-18H,9-10H2;2*1-3H3;/q-1;;;+2/p-1
InChIKey
ZYZJGUXFWRZNSZ-UHFFFAOYSA-M
Compound name
2-(2,2-ditert-butyl-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 189.2
[M+Na]+ 499.13782 193.0
[M-H]- 475.14132 190.1
[M+NH4]+ 494.18242 193.4
[M+K]+ 515.11176 191.7
[M+H-H2O]+ 459.14586 183.8
[M+HCOO]- 521.14680 192.3
[M+CH3COO]- 535.16245 237.3
[M+Na-2H]- 497.12327 187.7
[M]+ 476.14805 187.9
[M]- 476.14915 187.9
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.