CID 112325

Protein hydrolyzates, yeast

Structural Information

Molecular Formula
C29H29N3O3S
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=C(C=CC(=C5)N=C=S)C(=O)O3
InChI
InChI=1S/C29H29N3O3S/c1-5-31(6-2)20-10-13-23-26(16-20)34-27-17-21(32(7-3)8-4)11-14-24(27)29(23)25-15-19(30-18-36)9-12-22(25)28(33)35-29/h9-17H,5-8H2,1-4H3
InChIKey
OTFIRIMNKLNLIK-UHFFFAOYSA-N
Compound name
3',6'-bis(diethylamino)-5-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

499.19296 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.20024 222.1
[M+Na]+ 522.18218 234.8
[M+NH4]+ 517.22678 231.6
[M+K]+ 538.15612 223.9
[M-H]- 498.18568 231.5
[M+Na-2H]- 520.16763 227.2
[M]+ 499.19241 227.4
[M]- 499.19351 227.4
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.