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

2
Patents

234.09055 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09783 173.5
[M+Na]+ 257.07977 180.7
[M-H]- 233.08327 175.7
[M+NH4]+ 252.12437 179.8
[M+K]+ 273.05371 174.7
[M+H-H2O]+ 217.08781 160.1
[M+HCOO]- 279.08875 176.0
[M+CH3COO]- 293.10440 175.5
[M+Na-2H]- 255.06522 171.4
[M]+ 234.09000 163.2
[M]- 234.09110 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