CID 51597

72469-15-9

Structural Information

Molecular Formula
C18H26N2O
SMILES
CC1=CC=C(C=C1)C(=O)NC2CCC[C@H]3[C@H]2CCN(C3)C
InChI
InChI=1S/C18H26N2O/c1-13-6-8-14(9-7-13)18(21)19-17-5-3-4-15-12-20(2)11-10-16(15)17/h6-9,15-17H,3-5,10-12H2,1-2H3,(H,19,21)/t15-,16-,17?/m1/s1
InChIKey
XSTDZAMTGIEXQR-YNPPLXCJSA-N
Compound name
N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 170.1
[M+Na]+ 309.19372 173.1
[M-H]- 285.19722 174.6
[M+NH4]+ 304.23832 184.8
[M+K]+ 325.16766 168.8
[M+H-H2O]+ 269.20176 161.1
[M+HCOO]- 331.20270 184.7
[M+CH3COO]- 345.21835 205.9
[M+Na-2H]- 307.17917 171.2
[M]+ 286.20395 163.0
[M]- 286.20505 163.0
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.