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]+ 242.117556 153.9
[M+Na]+ 264.099498 164.2
[M-H]- 240.103004 159.3
[M+NH4]+ 259.144103 173.4
[M+K]+ 280.073438 161.4
[M+H-H2O]+ 224.107540 147.7
[M+HCOO]- 286.108481 172.8
[M+CH3COO]- 300.124131 167.2
[M+Na-2H]- 262.084946 158.1
[M]+ 241.10973142 157.0
[M]- 241.11082858 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.