CID 45054971

2-(((2-(1,3-benzodioxol-5-ylmethylene)hydrazino)(oxo)ac)amino)-n-phenylbenzamide

Structural Information

Molecular Formula
C23H18N4O5
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C23H18N4O5/c28-21(25-16-6-2-1-3-7-16)17-8-4-5-9-18(17)26-22(29)23(30)27-24-13-15-10-11-19-20(12-15)32-14-31-19/h1-13H,14H2,(H,25,28)(H,26,29)(H,27,30)/b24-13+
InChIKey
VAQDLUYCWPXZNK-ZMOGYAJESA-N
Compound name
N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.12772 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.134996 200.4
[M+Na]+ 453.116938 203.1
[M-H]- 429.120444 213.1
[M+NH4]+ 448.161543 208.2
[M+K]+ 469.090878 202.4
[M+H-H2O]+ 413.124980 190.2
[M+HCOO]- 475.125921 224.2
[M+CH3COO]- 489.141571 236.1
[M+Na-2H]- 451.102386 205.0
[M]+ 430.12717142 201.3
[M]- 430.12826858 201.3
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.