CID 45055032

765907-67-3

Structural Information

Molecular Formula
C23H19N3O5
SMILES
COC1=CC=CC(=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H19N3O5/c1-30-20-9-5-8-18(14-20)25-21(27)22(28)26-24-15-16-10-12-19(13-11-16)31-23(29)17-6-3-2-4-7-17/h2-15H,1H3,(H,25,27)(H,26,28)/b24-15+
InChIKey
UPGOVCKWVAUPKY-BUVRLJJBSA-N
Compound name
[4-[(E)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.13248 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.13976 198.0
[M+Na]+ 440.12170 201.1
[M-H]- 416.12520 208.4
[M+NH4]+ 435.16630 206.5
[M+K]+ 456.09564 198.5
[M+H-H2O]+ 400.12974 186.5
[M+HCOO]- 462.13068 223.6
[M+CH3COO]- 476.14633 231.8
[M+Na-2H]- 438.10715 200.9
[M]+ 417.13193 199.8
[M]- 417.13303 199.8
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.