CID 135959069

Pyridinium, 1,1',1''-(1,2,3-propanetriyl)tris(oxymethylene)tris(4-formyl-, trichloride, trioxime

Structural Information

Molecular Formula
C24H29N6O6
SMILES
C1=C[N+](=CC=C1/C=N/O)COCC(COC[N+]2=CC=C(C=C2)C=O)CC=[N+]=CC=C(/C=N/O)/C=N/O
InChI
InChI=1S/C24H26N6O6/c31-16-22-5-11-30(12-6-22)20-36-18-24(2-8-25-7-1-23(14-27-33)15-28-34)17-35-19-29-9-3-21(4-10-29)13-26-32/h1,3-16,24H,2,17-20H2/p+3
InChIKey
ZUIXQFBZAUHZJT-UHFFFAOYSA-Q
Compound name
[3-[(4-formylpyridin-1-ium-1-yl)methoxymethyl]-4-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]butylidene]-[(4E)-4-hydroxyimino-3-[(E)-hydroxyiminomethyl]but-2-enylidene]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.21484 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.22212 216.9
[M+Na]+ 520.20406 216.8
[M-H]- 496.20756 221.1
[M+NH4]+ 515.24866 218.3
[M+K]+ 536.17800 196.3
[M+H-H2O]+ 480.21210 211.6
[M+HCOO]- 542.21304 238.5
[M+CH3COO]- 556.22869 223.8
[M+Na-2H]- 518.18951 227.1
[M]+ 497.21429 216.8
[M]- 497.21539 216.8
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.