CID 5469717

Nsc691892

Structural Information

Molecular Formula
C14H11NO2S
SMILES
CO/N=C/C1=CC2=C(C=C1)OC3=CC=CC=C3S2
InChI
InChI=1S/C14H11NO2S/c1-16-15-9-10-6-7-12-14(8-10)18-13-5-3-2-4-11(13)17-12/h2-9H,1H3/b15-9+
InChIKey
AUVRMLAAPHGBTP-OQLLNIDSSA-N
Compound name
(E)-N-methoxy-1-phenoxathiin-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.05106 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05834 151.1
[M+Na]+ 280.04028 160.3
[M-H]- 256.04378 158.7
[M+NH4]+ 275.08488 170.0
[M+K]+ 296.01422 157.6
[M+H-H2O]+ 240.04832 144.2
[M+HCOO]- 302.04926 169.7
[M+CH3COO]- 316.06491 164.4
[M+Na-2H]- 278.02573 160.0
[M]+ 257.05051 155.8
[M]- 257.05161 155.8
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.