CID 45050936

853311-24-7

Structural Information

Molecular Formula
C15H10N2S
SMILES
CC1=CC=C(C=C1)C2=CSC(=C2)C=C(C#N)C#N
InChI
InChI=1S/C15H10N2S/c1-11-2-4-13(5-3-11)14-7-15(18-10-14)6-12(8-16)9-17/h2-7,10H,1H3
InChIKey
WWSUZMOHAFVKEJ-UHFFFAOYSA-N
Compound name
2-[[4-(4-methylphenyl)thiophen-2-yl]methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.05647 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06375 179.0
[M+Na]+ 273.04569 190.7
[M-H]- 249.04919 184.8
[M+NH4]+ 268.09029 192.2
[M+K]+ 289.01963 184.0
[M+H-H2O]+ 233.05373 163.4
[M+HCOO]- 295.05467 188.2
[M+CH3COO]- 309.07032 186.1
[M+Na-2H]- 271.03114 176.4
[M]+ 250.05592 172.1
[M]- 250.05702 172.1
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.