CID 135959486

93490-44-9

Structural Information

Molecular Formula
C13H17N5O3
SMILES
C[N+]1=C(N(C=C1)COC[N+]2=CC=CC=C2/C=N/O)/C=N/O
InChI
InChI=1S/C13H15N5O3/c1-16-6-7-18(13(16)9-15-20)11-21-10-17-5-3-2-4-12(17)8-14-19/h2-9H,10-11H2,1H3/p+2
InChIKey
JKWXVBVCFMNSRA-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[[2-[(E)-hydroxyiminomethyl]-3-methylimidazol-3-ium-1-yl]methoxymethyl]pyridin-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.13315 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14043 165.4
[M+Na]+ 314.12237 172.9
[M-H]- 290.12587 169.4
[M+NH4]+ 309.16697 177.4
[M+K]+ 330.09631 158.5
[M+H-H2O]+ 274.13041 160.8
[M+HCOO]- 336.13135 188.9
[M+CH3COO]- 350.14700 190.2
[M+Na-2H]- 312.10782 175.9
[M]+ 291.13260 165.9
[M]- 291.13370 165.9
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.