CID 9609870

4-((e)-{[(3-chloro-2-methylanilino)(oxo)acetyl]hydrazono}methyl)-2-methoxyphenyl (2e)-3-phenyl-2-propenoate

Structural Information

Molecular Formula
C26H22ClN3O5
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C26H22ClN3O5/c1-17-20(27)9-6-10-21(17)29-25(32)26(33)30-28-16-19-11-13-22(23(15-19)34-2)35-24(31)14-12-18-7-4-3-5-8-18/h3-16H,1-2H3,(H,29,32)(H,30,33)/b14-12+,28-16+
InChIKey
QFQTUSWUKWADDN-XXCBZJLXSA-N
Compound name
[4-[(E)-[[2-(3-chloro-2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.1248 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.13208 218.6
[M+Na]+ 514.11402 223.4
[M-H]- 490.11752 229.2
[M+NH4]+ 509.15862 225.7
[M+K]+ 530.08796 218.4
[M+H-H2O]+ 474.12206 207.9
[M+HCOO]- 536.12300 239.0
[M+CH3COO]- 550.13865 245.2
[M+Na-2H]- 512.09947 218.1
[M]+ 491.12425 224.3
[M]- 491.12535 224.3
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.