CID 135891762

Luh8

Structural Information

Molecular Formula
C14H16N4O2S
SMILES
C1=C[N+](=CC=C1/C=N/O)CSC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C14H14N4O2S/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2
InChIKey
ZCEPXHNXNSVPDK-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methylsulfanylmethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0994 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10668 161.3
[M+Na]+ 327.08862 177.5
[M+NH4]+ 322.13322 170.1
[M+K]+ 343.06256 169.8
[M-H]- 303.09212 168.4
[M+Na-2H]- 325.07407 171.5
[M]+ 304.09885 166.6
[M]- 304.09995 166.6
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.