CID 135869265

Bdb-26

Structural Information

Molecular Formula
C20H19N3O3
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)COC[N+]3=CC=CC=C3/C=N/O
InChI
InChI=1S/C20H18N3O3/c24-20(17-6-2-1-3-7-17)18-9-12-22(13-10-18)15-26-16-23-11-5-4-8-19(23)14-21-25/h1-14H,15-16H2/q+1/p+1
InChIKey
GEBQLFFSDDIGIC-UHFFFAOYSA-O
Compound name
[1-[[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

349.14264 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14992 189.0
[M+Na]+ 372.13186 194.0
[M-H]- 348.13536 196.0
[M+NH4]+ 367.17646 197.1
[M+K]+ 388.10580 177.8
[M+H-H2O]+ 332.13990 182.4
[M+HCOO]- 394.14084 209.4
[M+CH3COO]- 408.15649 200.0
[M+Na-2H]- 370.11731 198.5
[M]+ 349.14209 187.7
[M]- 349.14319 187.7
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.