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]+ 306.12708 163.7
[M+Na]+ 328.10902 180.9
[M+NH4]+ 323.15362 173.1
[M+K]+ 344.08296 172.5
[M-H]- 304.11252 170.8
[M+Na-2H]- 326.09447 173.9
[M]+ 305.11925 169.3
[M]- 305.12035 169.3
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.