CID 45054451

4-(2-((3-cl-4-methylanilino)(oxo)ac)carbohydrazonoyl)ph 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C25H22ClN3O6
SMILES
CC1=C(C=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC)OC)Cl
InChI
InChI=1S/C25H22ClN3O6/c1-15-4-8-18(13-20(15)26)28-23(30)24(31)29-27-14-16-5-9-19(10-6-16)35-25(32)17-7-11-21(33-2)22(12-17)34-3/h4-14H,1-3H3,(H,28,30)(H,29,31)/b27-14+
InChIKey
CMGIWBWGZDISDX-MZJWZYIUSA-N
Compound name
[4-[(E)-[[2-(3-chloro-4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.11972 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.12700 217.0
[M+Na]+ 518.10894 222.5
[M-H]- 494.11244 228.1
[M+NH4]+ 513.15354 224.2
[M+K]+ 534.08288 219.3
[M+H-H2O]+ 478.11698 206.5
[M+HCOO]- 540.11792 237.8
[M+CH3COO]- 554.13357 247.2
[M+Na-2H]- 516.09439 216.6
[M]+ 495.11917 225.0
[M]- 495.12027 225.0
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.