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]+ 327.20671 181.0
[M+Na]+ 349.18865 187.9
[M-H]- 325.19215 186.4
[M+NH4]+ 344.23325 194.7
[M+K]+ 365.16259 183.0
[M+H-H2O]+ 309.19669 171.6
[M+HCOO]- 371.19763 199.6
[M+CH3COO]- 385.21328 215.3
[M+Na-2H]- 347.17410 182.8
[M]+ 326.19888 181.6
[M]- 326.19998 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.