CID 68365

549-94-0

Structural Information

Molecular Formula
C16H14N4O4
SMILES
C1=CC=C(C=C1)NN=C(C(=NNC2=CC=CC=C2)C(=O)O)C(=O)O
InChI
InChI=1S/C16H14N4O4/c21-15(22)13(19-17-11-7-3-1-4-8-11)14(16(23)24)20-18-12-9-5-2-6-10-12/h1-10,17-18H,(H,21,22)(H,23,24)
InChIKey
JBCIWHUXUYBMAH-UHFFFAOYSA-N
Compound name
2,3-bis(phenylhydrazinylidene)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1015 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10878 171.6
[M+Na]+ 349.09072 173.3
[M-H]- 325.09422 177.5
[M+NH4]+ 344.13532 182.7
[M+K]+ 365.06466 171.6
[M+H-H2O]+ 309.09876 162.0
[M+HCOO]- 371.09970 196.8
[M+CH3COO]- 385.11535 216.3
[M+Na-2H]- 347.07617 175.8
[M]+ 326.10095 168.6
[M]- 326.10205 168.6
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.