CID 135429847

Nsc106159

Structural Information

Molecular Formula
C19H20N4O6
SMILES
C1=CC(=C(C=C1/C=N/NC(=O)CCCC(=O)N/N=C/C2=CC(=C(C=C2)O)O)O)O
InChI
InChI=1S/C19H20N4O6/c24-14-6-4-12(8-16(14)26)10-20-22-18(28)2-1-3-19(29)23-21-11-13-5-7-15(25)17(27)9-13/h4-11,24-27H,1-3H2,(H,22,28)(H,23,29)/b20-10+,21-11+
InChIKey
QVKHLZCGWPLBJP-CLVAPQHMSA-N
Compound name
N,N'-bis[(E)-(3,4-dihydroxyphenyl)methylideneamino]pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.13828 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14556 190.4
[M+Na]+ 423.12750 193.7
[M-H]- 399.13100 194.4
[M+NH4]+ 418.17210 198.3
[M+K]+ 439.10144 190.7
[M+H-H2O]+ 383.13554 180.6
[M+HCOO]- 445.13648 213.8
[M+CH3COO]- 459.15213 228.1
[M+Na-2H]- 421.11295 191.9
[M]+ 400.13773 190.2
[M]- 400.13883 190.2
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.