CID 135499255

Nsc647100

Structural Information

Molecular Formula
C23H13Cl3N4O6
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)/C(=N/NC3=CC(=CC=C3)Cl)/C(=O)NC4=C(C=C(C=C4Cl)[N+](=O)[O-])Cl)O
InChI
InChI=1S/C23H13Cl3N4O6/c24-11-4-3-5-12(8-11)28-29-20(18-21(31)14-6-1-2-7-17(14)36-23(18)33)22(32)27-19-15(25)9-13(30(34)35)10-16(19)26/h1-10,28,31H,(H,27,32)/b29-20-
InChIKey
IVPVQHCZUAATCO-BRPDVVIDSA-N
Compound name
(2Z)-2-[(3-chlorophenyl)hydrazinylidene]-N-(2,6-dichloro-4-nitrophenyl)-2-(4-hydroxy-2-oxochromen-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.99005 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.99733 223.1
[M+Na]+ 568.97927 228.6
[M-H]- 544.98277 231.9
[M+NH4]+ 564.02387 226.9
[M+K]+ 584.95321 221.2
[M+H-H2O]+ 528.98731 219.2
[M+HCOO]- 590.98825 232.0
[M+CH3COO]- 605.00390 245.3
[M+Na-2H]- 566.96472 226.2
[M]+ 545.98950 228.9
[M]- 545.99060 228.9
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.