CID 39053

41958-53-6

Structural Information

Molecular Formula
C18H19NO
SMILES
C[C@H]1[C@@H](C2=CC=CC(=C2C(=O)N1C)C)C3=CC=CC=C3
InChI
InChI=1S/C18H19NO/c1-12-8-7-11-15-16(12)18(20)19(3)13(2)17(15)14-9-5-4-6-10-14/h4-11,13,17H,1-3H3/t13-,17+/m0/s1
InChIKey
FJODHFDATMVNDW-SUMWQHHRSA-N
Compound name
(3S,4R)-2,3,8-trimethyl-4-phenyl-3,4-dihydroisoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14667 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15395 162.8
[M+Na]+ 288.13589 179.5
[M+NH4]+ 283.18049 172.5
[M+K]+ 304.10983 170.2
[M-H]- 264.13939 168.5
[M+Na-2H]- 286.12134 171.2
[M]+ 265.14612 167.1
[M]- 265.14722 167.1
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.