CID 3010631

2-naphthalenemethanamine, 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-(methoxymethyl)-n-(2-methylpropyl)-

Structural Information

Molecular Formula
C27H35NO5
SMILES
CC(C)CNCC1=C(C(=C2C=C(C(=CC2=C1)OC)OC)C3=CC(=C(C=C3)OC)OC)COC
InChI
InChI=1S/C27H35NO5/c1-17(2)14-28-15-20-10-19-12-25(32-6)26(33-7)13-21(19)27(22(20)16-29-3)18-8-9-23(30-4)24(11-18)31-5/h8-13,17,28H,14-16H2,1-7H3
InChIKey
ZITHCGCGEBYONJ-UHFFFAOYSA-N
Compound name
N-[[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-(methoxymethyl)naphthalen-2-yl]methyl]-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

453.25153 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.25881 214.8
[M+Na]+ 476.24075 221.0
[M-H]- 452.24425 222.2
[M+NH4]+ 471.28535 224.8
[M+K]+ 492.21469 218.2
[M+H-H2O]+ 436.24879 204.4
[M+HCOO]- 498.24973 234.8
[M+CH3COO]- 512.26538 242.9
[M+Na-2H]- 474.22620 213.4
[M]+ 453.25098 225.3
[M]- 453.25208 225.3
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.