CID 9690070

7-[(e)-[(3-chlorophenyl)hydrazono]methyl]-1,3-dihydroxy-xanthen-9-one

Structural Information

Molecular Formula
C20H13ClN2O4
SMILES
C1=CC(=CC(=C1)Cl)N/N=C/C2=CC3=C(C=C2)OC4=CC(=CC(=C4C3=O)O)O
InChI
InChI=1S/C20H13ClN2O4/c21-12-2-1-3-13(7-12)23-22-10-11-4-5-17-15(6-11)20(26)19-16(25)8-14(24)9-18(19)27-17/h1-10,23-25H/b22-10+
InChIKey
NXNHNEZOSYDLDC-LSHDLFTRSA-N
Compound name
7-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-1,3-dihydroxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.0564 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.06368 185.5
[M+Na]+ 403.04562 197.5
[M-H]- 379.04912 194.7
[M+NH4]+ 398.09022 198.2
[M+K]+ 419.01956 191.7
[M+H-H2O]+ 363.05366 177.2
[M+HCOO]- 425.05460 204.6
[M+CH3COO]- 439.07025 197.1
[M+Na-2H]- 401.03107 193.9
[M]+ 380.05585 192.2
[M]- 380.05695 192.2
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.