CID 495659

Nsc665706

Structural Information

Molecular Formula
C17H27NO5
SMILES
CC1(C2=CC(=C(C=C2CCN1)OC)OC)C(C(C(C)(C)O)O)O
InChI
InChI=1S/C17H27NO5/c1-16(2,21)14(19)15(20)17(3)11-9-13(23-5)12(22-4)8-10(11)6-7-18-17/h8-9,14-15,18-21H,6-7H2,1-5H3
InChIKey
OZIMZSMSNSUPFN-UHFFFAOYSA-N
Compound name
1-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)-3-methylbutane-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.18893 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.19621 178.2
[M+Na]+ 348.17815 182.8
[M-H]- 324.18165 175.4
[M+NH4]+ 343.22275 191.4
[M+K]+ 364.15209 180.4
[M+H-H2O]+ 308.18619 173.1
[M+HCOO]- 370.18713 186.9
[M+CH3COO]- 384.20278 202.5
[M+Na-2H]- 346.16360 179.9
[M]+ 325.18838 177.2
[M]- 325.18948 177.2
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.