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]+ 301.129526 170.1
[M+Na]+ 323.111468 176.0
[M-H]- 299.114974 174.6
[M+NH4]+ 318.156073 180.7
[M+K]+ 339.085408 160.8
[M+H-H2O]+ 283.119510 165.4
[M+HCOO]- 345.120451 192.5
[M+CH3COO]- 359.136101 192.0
[M+Na-2H]- 321.096916 180.9
[M]+ 300.12170142 168.4
[M]- 300.12279858 168.4
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.