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

3799
Patents

253.11028 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.117556 157.5
[M+Na]+ 276.099498 163.7
[M-H]- 252.103004 161.5
[M+NH4]+ 271.144103 173.1
[M+K]+ 292.073438 157.6
[M+H-H2O]+ 236.107540 149.3
[M+HCOO]- 298.108481 173.3
[M+CH3COO]- 312.124131 167.8
[M+Na-2H]- 274.084946 161.0
[M]+ 253.10973142 150.7
[M]- 253.11082858 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.