CID 6478651

(e)-2-(2-hydroxyphenyl)sulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile

Structural Information

Molecular Formula
C16H13NO2S
SMILES
COC1=CC=C(C=C1)/C=C(\C#N)/SC2=CC=CC=C2O
InChI
InChI=1S/C16H13NO2S/c1-19-13-8-6-12(7-9-13)10-14(11-17)20-16-5-3-2-4-15(16)18/h2-10,18H,1H3/b14-10+
InChIKey
VSDQWHNELZQLCJ-GXDHUFHOSA-N
Compound name
(E)-2-(2-hydroxyphenyl)sulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0667 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.073976 171.9
[M+Na]+ 306.055918 181.9
[M-H]- 282.059424 176.8
[M+NH4]+ 301.100523 186.1
[M+K]+ 322.029858 175.5
[M+H-H2O]+ 266.063960 158.6
[M+HCOO]- 328.064901 185.4
[M+CH3COO]- 342.080551 206.7
[M+Na-2H]- 304.041366 172.4
[M]+ 283.06615142 168.9
[M]- 283.06724858 168.9
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.