CID 45050964

853313-11-8

Structural Information

Molecular Formula
C15H10N2OS
SMILES
COC1=CC=C(C=C1)C2=CSC(=C2)C=C(C#N)C#N
InChI
InChI=1S/C15H10N2OS/c1-18-14-4-2-12(3-5-14)13-7-15(19-10-13)6-11(8-16)9-17/h2-7,10H,1H3
InChIKey
CNBCFSHSEAZEGG-UHFFFAOYSA-N
Compound name
2-[[4-(4-methoxyphenyl)thiophen-2-yl]methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0514 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.05868 180.6
[M+Na]+ 289.04062 192.0
[M-H]- 265.04412 186.3
[M+NH4]+ 284.08522 193.2
[M+K]+ 305.01456 185.8
[M+H-H2O]+ 249.04866 164.8
[M+HCOO]- 311.04960 189.9
[M+CH3COO]- 325.06525 222.7
[M+Na-2H]- 287.02607 178.1
[M]+ 266.05085 174.5
[M]- 266.05195 174.5
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.