CID 57241

97460-75-8

Structural Information

Molecular Formula
C14H10N4
SMILES
C1CC2=C(C=CC(=C2)C(=C(C#N)C#N)C#N)NC1
InChI
InChI=1S/C14H10N4/c15-7-12(8-16)13(9-17)10-3-4-14-11(6-10)2-1-5-18-14/h3-4,6,18H,1-2,5H2
InChIKey
MMBBFDZCCKWEOZ-UHFFFAOYSA-N
Compound name
2-(1,2,3,4-tetrahydroquinolin-6-yl)ethene-1,1,2-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

234.09055 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.097826 173.5
[M+Na]+ 257.079768 180.7
[M-H]- 233.083274 175.7
[M+NH4]+ 252.124373 179.8
[M+K]+ 273.053708 174.7
[M+H-H2O]+ 217.087810 160.1
[M+HCOO]- 279.088751 176.0
[M+CH3COO]- 293.104401 175.5
[M+Na-2H]- 255.065216 171.4
[M]+ 234.09000142 163.2
[M]- 234.09109858 163.2
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

patents stripe