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]+ 431.13500 200.4
[M+Na]+ 453.11694 203.1
[M-H]- 429.12044 213.1
[M+NH4]+ 448.16154 208.2
[M+K]+ 469.09088 202.4
[M+H-H2O]+ 413.12498 190.2
[M+HCOO]- 475.12592 224.2
[M+CH3COO]- 489.14157 236.1
[M+Na-2H]- 451.10239 205.0
[M]+ 430.12717 201.3
[M]- 430.12827 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.