CID 16204505

Ft9y34w9ul

Structural Information

Molecular Formula
C20H19N3O5S
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3S(=O)(=O)O
InChI
InChI=1S/C20H19N3O5S/c1-3-22(4-2)14-10-9-13-11-15(20(24)28-18(13)12-14)19-21-16-7-5-6-8-17(16)23(19)29(25,26)27/h5-12H,3-4H2,1-2H3,(H,25,26,27)
InChIKey
SAIBMELRJGTEPJ-UHFFFAOYSA-N
Compound name
2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

413.10455 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.11183 194.3
[M+Na]+ 436.09377 208.6
[M+NH4]+ 431.13837 200.1
[M+K]+ 452.06771 203.1
[M-H]- 412.09727 198.3
[M+Na-2H]- 434.07922 200.0
[M]+ 413.10400 198.0
[M]- 413.10510 198.0
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.