CID 123934

21811-74-5

Structural Information

Molecular Formula
C23H12Cl2N4O5
SMILES
C1=CC2=C(C=C1NC3=NC(=NC(=N3)Cl)Cl)C(=O)OC24C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O
InChI
InChI=1S/C23H12Cl2N4O5/c24-20-27-21(25)29-22(28-20)26-10-1-4-14-13(7-10)19(32)34-23(14)15-5-2-11(30)8-17(15)33-18-9-12(31)3-6-16(18)23/h1-9,30-31H,(H,26,27,28,29)
InChIKey
HWQQCFPHXPNXHC-UHFFFAOYSA-N
Compound name
6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

92
References

7384
Patents

494.01846 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.02574 213.0
[M+Na]+ 517.00768 231.6
[M+NH4]+ 512.05228 221.3
[M+K]+ 532.98162 223.1
[M-H]- 493.01118 220.5
[M+Na-2H]- 514.99313 218.6
[M]+ 494.01791 218.7
[M]- 494.01901 218.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe