CID 135875559

R 46

Structural Information

Molecular Formula
C16H20N4O4
SMILES
C1=C[N+](=CC=C1/C=N/O)CC(O)C(O)C[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C16H18N4O4/c21-15(11-19-5-1-13(2-6-19)9-17-23)16(22)12-20-7-3-14(4-8-20)10-18-24/h1-10,15-16,21-22H,11-12H2/p+2
InChIKey
HLLKSYWFGZZUSN-UHFFFAOYSA-P
Compound name
1,4-bis[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]butane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.14847 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.155746 177.1
[M+Na]+ 355.137688 180.8
[M-H]- 331.141194 178.9
[M+NH4]+ 350.182293 184.9
[M+K]+ 371.111628 165.7
[M+H-H2O]+ 315.145730 172.7
[M+HCOO]- 377.146671 195.3
[M+CH3COO]- 391.162321 193.9
[M+Na-2H]- 353.123136 185.8
[M]+ 332.14792142 173.6
[M]- 332.14901858 173.6
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.