CID 52470

73791-07-8

Structural Information

Molecular Formula
C14H13N3OS
SMILES
CC(=O)NCC(=C(C#N)C#N)C1=CC=C(C=C1)SC
InChI
InChI=1S/C14H13N3OS/c1-10(18)17-9-14(12(7-15)8-16)11-3-5-13(19-2)6-4-11/h3-6H,9H2,1-2H3,(H,17,18)
InChIKey
CLSSVUOUSYOGKL-UHFFFAOYSA-N
Compound name
N-[3,3-dicyano-2-(4-methylsulfanylphenyl)prop-2-enyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.07794 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08522 177.4
[M+Na]+ 294.06716 184.2
[M+NH4]+ 289.11176 177.4
[M+K]+ 310.04110 173.4
[M-H]- 270.07066 167.4
[M+Na-2H]- 292.05261 175.8
[M]+ 271.07739 174.4
[M]- 271.07849 174.4
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.