CID 135881844

Mbm3 dichloride

Structural Information

Molecular Formula
C15H16N4O3
SMILES
C1=C[N+](=CC=C1/C=N/O)CC(=O)C[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C15H14N4O3/c20-15(11-18-5-1-13(2-6-18)9-16-21)12-19-7-3-14(4-8-19)10-17-22/h1-10H,11-12H2/p+2
InChIKey
KCMXGISEMDPMME-UHFFFAOYSA-P
Compound name
1,3-bis[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.12225 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12953 165.6
[M+Na]+ 323.11147 181.3
[M+NH4]+ 318.15607 172.9
[M+K]+ 339.08541 176.4
[M-H]- 299.11497 171.5
[M+Na-2H]- 321.09692 175.0
[M]+ 300.12170 169.9
[M]- 300.12280 169.9
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.