CID 9639634

765275-49-8

Structural Information

Molecular Formula
C20H13Cl2N3O5
SMILES
C1=COC(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C20H13Cl2N3O5/c21-13-5-8-15(22)16(10-13)24-18(26)19(27)25-23-11-12-3-6-14(7-4-12)30-20(28)17-2-1-9-29-17/h1-11H,(H,24,26)(H,25,27)/b23-11+
InChIKey
UGZMYJQATRATIB-FOKLQQMPSA-N
Compound name
[4-[(E)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.02322 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.03050 204.4
[M+Na]+ 468.01244 211.1
[M-H]- 444.01594 215.9
[M+NH4]+ 463.05704 214.5
[M+K]+ 483.98638 207.2
[M+H-H2O]+ 428.02048 196.2
[M+HCOO]- 490.02142 221.5
[M+CH3COO]- 504.03707 231.4
[M+Na-2H]- 465.99789 204.9
[M]+ 445.02267 211.5
[M]- 445.02377 211.5
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.