CID 135525269

Hs 4

Structural Information

Molecular Formula
C14H16N4O3
SMILES
C1=CC=[N+](C(=C1)/C=N/O)COC[N+]2=CC=CC=C2/C=N/O
InChI
InChI=1S/C14H14N4O3/c19-15-9-13-5-1-3-7-17(13)11-21-12-18-8-4-2-6-14(18)10-16-20/h1-10H,11-12H2/p+2
InChIKey
WZAFHMORPYBDOA-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.12225 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12953 166.3
[M+Na]+ 311.11147 172.6
[M-H]- 287.11497 170.8
[M+NH4]+ 306.15607 177.5
[M+K]+ 327.08541 157.8
[M+H-H2O]+ 271.11951 161.5
[M+HCOO]- 333.12045 189.9
[M+CH3COO]- 347.13610 189.4
[M+Na-2H]- 309.09692 178.7
[M]+ 288.12170 165.6
[M]- 288.12280 165.6
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.