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]+ 327.108776 171.6
[M+Na]+ 349.090718 173.3
[M-H]- 325.094224 177.5
[M+NH4]+ 344.135323 182.7
[M+K]+ 365.064658 171.6
[M+H-H2O]+ 309.098760 162.0
[M+HCOO]- 371.099701 196.8
[M+CH3COO]- 385.115351 216.3
[M+Na-2H]- 347.076166 175.8
[M]+ 326.10095142 168.6
[M]- 326.10204858 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.