CID 135935686

Ad 136

Structural Information

Molecular Formula
C15H19N3O2S
SMILES
CCSC1=CC=[N+](C=C1)COC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C15H18N3O2S/c1-2-21-15-5-9-18(10-6-15)13-20-12-17-7-3-14(4-8-17)11-16-19/h3-11H,2,12-13H2,1H3/q+1/p+1
InChIKey
AVKLKUNRLYDTTQ-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-[(4-ethylsulfanylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1198 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.127076 169.5
[M+Na]+ 328.109018 176.3
[M-H]- 304.112524 173.9
[M+NH4]+ 323.153623 181.2
[M+K]+ 344.082958 160.3
[M+H-H2O]+ 288.117060 165.3
[M+HCOO]- 350.118001 186.4
[M+CH3COO]- 364.133651 191.0
[M+Na-2H]- 326.094466 177.9
[M]+ 305.11925142 170.8
[M]- 305.12034858 170.8
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.