CID 134159718

Fluorescein-maleimide

Structural Information

Molecular Formula
C27H19N3O7S
SMILES
C1=CC2=C(C=C1NC(=S)NCCN3C(=O)C=CC3=O)C(=O)OC24C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O
InChI
InChI=1S/C27H19N3O7S/c31-15-2-5-19-21(12-15)36-22-13-16(32)3-6-20(22)27(19)18-4-1-14(11-17(18)25(35)37-27)29-26(38)28-9-10-30-23(33)7-8-24(30)34/h1-8,11-13,31-32H,9-10H2,(H2,28,29,38)
InChIKey
WMHCVBWDCIFFOB-UHFFFAOYSA-N
Compound name
1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-[2-(2,5-dioxopyrrol-1-yl)ethyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

69
References

0
Patents

529.09436 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.10164 220.9
[M+Na]+ 552.08358 231.6
[M+NH4]+ 547.12818 227.1
[M+K]+ 568.05752 226.6
[M-H]- 528.08708 227.1
[M+Na-2H]- 550.06903 223.2
[M]+ 529.09381 224.5
[M]- 529.09491 224.5
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.