CID 640951

Tmc-120a

Structural Information

Molecular Formula
C15H15NO2
SMILES
CC1=CC2=C(C=N1)C3=C(C=C2)C(=O)[C@H](O3)C(C)C
InChI
InChI=1S/C15H15NO2/c1-8(2)14-13(17)11-5-4-10-6-9(3)16-7-12(10)15(11)18-14/h4-8,14H,1-3H3/t14-/m1/s1
InChIKey
JROFCJKUGPMKCQ-CQSZACIVSA-N
Compound name
(2R)-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

241.11028 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 153.9
[M+Na]+ 264.09950 164.2
[M-H]- 240.10300 159.3
[M+NH4]+ 259.14410 173.4
[M+K]+ 280.07344 161.4
[M+H-H2O]+ 224.10754 147.7
[M+HCOO]- 286.10848 172.8
[M+CH3COO]- 300.12413 167.2
[M+Na-2H]- 262.08495 158.1
[M]+ 241.10973 157.0
[M]- 241.11083 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.