CID 9574365

Nsc57886

Structural Information

Molecular Formula
C22H22N4O4
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)C(O)C(O)C(=O)N/N=C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C22H22N4O4/c27-19(21(29)25-23-15-7-13-17-9-3-1-4-10-17)20(28)22(30)26-24-16-8-14-18-11-5-2-6-12-18/h1-16,19-20,27-28H,(H,25,29)(H,26,30)/b13-7+,14-8+,23-15+,24-16+
InChIKey
LIXQPTNMBCCLLW-QMWDUTMASA-N
Compound name
2,3-dihydroxy-N,N'-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1641 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17138 197.2
[M+Na]+ 429.15332 197.1
[M-H]- 405.15682 202.2
[M+NH4]+ 424.19792 205.1
[M+K]+ 445.12726 193.1
[M+H-H2O]+ 389.16136 186.7
[M+HCOO]- 451.16230 220.8
[M+CH3COO]- 465.17795 230.0
[M+Na-2H]- 427.13877 198.3
[M]+ 406.16355 194.5
[M]- 406.16465 194.5
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.