CID 5384729

Tesimide

Structural Information

Molecular Formula
C16H15NO2
SMILES
C1CCC2=C(C1)/C(=C/C3=CC=CC=C3)/C(=O)NC2=O
InChI
InChI=1S/C16H15NO2/c18-15-13-9-5-4-8-12(13)14(16(19)17-15)10-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,17,18,19)/b14-10-
InChIKey
JFTOCKFCHJCDDX-UVTDQMKNSA-N
Compound name
(4Z)-4-benzylidene-5,6,7,8-tetrahydroisoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3775
Patents

253.11028 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 157.5
[M+Na]+ 276.09950 163.7
[M-H]- 252.10300 161.5
[M+NH4]+ 271.14410 173.1
[M+K]+ 292.07344 157.6
[M+H-H2O]+ 236.10754 149.3
[M+HCOO]- 298.10848 173.3
[M+CH3COO]- 312.12413 167.8
[M+Na-2H]- 274.08495 161.0
[M]+ 253.10973 150.7
[M]- 253.11083 150.7
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

No patent data available for this compound.