CID 2339356

4-(ethoxymethylidene)-2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1,3-dione

Structural Information

Molecular Formula
C19H14F3NO3
SMILES
CCO/C=C/1\C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C19H14F3NO3/c1-2-26-11-16-14-8-3-4-9-15(14)17(24)23(18(16)25)13-7-5-6-12(10-13)19(20,21)22/h3-11H,2H2,1H3/b16-11+
InChIKey
MNKBUXYWTDGDDQ-LFIBNONCSA-N
Compound name
(4E)-4-(ethoxymethylidene)-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.0926 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09988 182.7
[M+Na]+ 384.08182 192.3
[M-H]- 360.08532 185.1
[M+NH4]+ 379.12642 195.1
[M+K]+ 400.05576 185.9
[M+H-H2O]+ 344.08986 171.3
[M+HCOO]- 406.09080 197.0
[M+CH3COO]- 420.10645 214.9
[M+Na-2H]- 382.06727 184.6
[M]+ 361.09205 179.9
[M]- 361.09315 179.9
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.