CID 53399048

47072-52-6

Structural Information

Molecular Formula
C15H13N3O2
SMILES
C1CC2=C(C=CC(=C2)C=C(C#N)C#N)N(C1)CC(=O)O
InChI
InChI=1S/C15H13N3O2/c16-8-12(9-17)6-11-3-4-14-13(7-11)2-1-5-18(14)10-15(19)20/h3-4,6-7H,1-2,5,10H2,(H,19,20)
InChIKey
LSKCTKMTYNICJW-UHFFFAOYSA-N
Compound name
2-[6-(2,2-dicyanoethenyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.10077 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 186.2
[M+Na]+ 290.08999 193.7
[M+NH4]+ 285.13459 185.8
[M+K]+ 306.06393 183.2
[M-H]- 266.09349 175.2
[M+Na-2H]- 288.07544 183.2
[M]+ 267.10022 182.7
[M]- 267.10132 182.7
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