CID 45492

63937-57-5

Structural Information

Molecular Formula
C20H24N2O4
SMILES
CN1CCC2=CC(=C(C=C2C1CCC3=CC=C(C=C3)[N+](=O)[O-])OC)OC
InChI
InChI=1S/C20H24N2O4/c1-21-11-10-15-12-19(25-2)20(26-3)13-17(15)18(21)9-6-14-4-7-16(8-5-14)22(23)24/h4-5,7-8,12-13,18H,6,9-11H2,1-3H3
InChIKey
AWDKLHCXDUACLM-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

356.1736 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18088 184.2
[M+Na]+ 379.16282 199.1
[M+NH4]+ 374.20742 191.8
[M+K]+ 395.13676 193.6
[M-H]- 355.16632 189.8
[M+Na-2H]- 377.14827 190.3
[M]+ 356.17305 187.9
[M]- 356.17415 187.9
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

patents stripe