CID 53505

Veradoline

Structural Information

Molecular Formula
C20H26N2O2
SMILES
CC1C2=CC(=C(C=C2CCN1CCC3=CC=C(C=C3)N)OC)OC
InChI
InChI=1S/C20H26N2O2/c1-14-18-13-20(24-3)19(23-2)12-16(18)9-11-22(14)10-8-15-4-6-17(21)7-5-15/h4-7,12-14H,8-11,21H2,1-3H3
InChIKey
KUYSNZZXTMKUTK-UHFFFAOYSA-N
Compound name
4-[2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

379
Patents

326.19943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.206706 181.0
[M+Na]+ 349.188648 187.9
[M-H]- 325.192154 186.4
[M+NH4]+ 344.233253 194.7
[M+K]+ 365.162588 183.0
[M+H-H2O]+ 309.196690 171.6
[M+HCOO]- 371.197631 199.6
[M+CH3COO]- 385.213281 215.3
[M+Na-2H]- 347.174096 182.8
[M]+ 326.19888142 181.6
[M]- 326.19997858 181.6
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.