CID 9635732

4-(2-(4-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)ph 2-thiophenecarboxylate

Structural Information

Molecular Formula
C26H19ClN2O4S
SMILES
C1=CSC(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H19ClN2O4S/c27-21-9-3-19(4-10-21)17-32-22-13-7-20(8-14-22)25(30)29-28-16-18-5-11-23(12-6-18)33-26(31)24-2-1-15-34-24/h1-16H,17H2,(H,29,30)/b28-16+
InChIKey
BHPWKPAIDQGLPM-LQKURTRISA-N
Compound name
[4-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.0754 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.08268 217.9
[M+Na]+ 513.06462 223.9
[M-H]- 489.06812 231.9
[M+NH4]+ 508.10922 227.4
[M+K]+ 529.03856 217.4
[M+H-H2O]+ 473.07266 208.1
[M+HCOO]- 535.07360 234.9
[M+CH3COO]- 549.08925 237.8
[M+Na-2H]- 511.05007 216.9
[M]+ 490.07485 225.1
[M]- 490.07595 225.1
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.