CID 456725

Oxal acid phco

Structural Information

Molecular Formula
C16H14N4O4
SMILES
C1=CC=C(C=C1)C(=O)NNC(=O)C(=O)NNC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14N4O4/c21-13(11-7-3-1-4-8-11)17-19-15(23)16(24)20-18-14(22)12-9-5-2-6-10-12/h1-10H,(H,17,21)(H,18,22)(H,19,23)(H,20,24)
InChIKey
PRVVIQMXBZVQQY-UHFFFAOYSA-N
Compound name
1-N',2-N'-dibenzoylethanedihydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.1015 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10878 173.3
[M+Na]+ 349.09072 175.4
[M-H]- 325.09422 179.5
[M+NH4]+ 344.13532 184.9
[M+K]+ 365.06466 173.8
[M+H-H2O]+ 309.09876 163.8
[M+HCOO]- 371.09970 198.7
[M+CH3COO]- 385.11535 213.0
[M+Na-2H]- 347.07617 177.4
[M]+ 326.10095 170.0
[M]- 326.10205 170.0
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

patents stripe