CID 16683172

Nsc633506

Structural Information

Molecular Formula
C30H46N2O4Sn
SMILES
CCCCCCCC[Sn](CCCCCCCC)(NC1=CC=CC=C1C(=O)O)OC(=O)C2=CC=CC=C2N
InChI
InChI=1S/2C8H17.C7H7NO2.C7H6NO2.Sn/c2*1-3-5-7-8-6-4-2;2*8-6-4-2-1-3-5(6)7(9)10;/h2*1,3-8H2,2H3;1-4H,8H2,(H,9,10);1-4,8H,(H,9,10);/q;;;-1;+2/p-1
InChIKey
YSPUQLBRWKMZIQ-UHFFFAOYSA-M
Compound name
2-[[(2-aminobenzoyl)oxy-dioctylstannyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

618.248 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.25528 253.3
[M+Na]+ 641.23722 250.8
[M-H]- 617.24072 254.3
[M+NH4]+ 636.28182 256.2
[M+K]+ 657.21116 244.9
[M+H-H2O]+ 601.24526 241.4
[M+HCOO]- 663.24620 267.9
[M+CH3COO]- 677.26185 253.9
[M+Na-2H]- 639.22267 247.2
[M]+ 618.24745 256.9
[M]- 618.24855 256.9
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.