CID 253994

4'-o-methylnorbelladine

Structural Information

Molecular Formula
C16H19NO3
SMILES
COC1=C(C=C(C=C1)CNCCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C16H19NO3/c1-20-16-7-4-13(10-15(16)19)11-17-9-8-12-2-5-14(18)6-3-12/h2-7,10,17-19H,8-9,11H2,1H3
InChIKey
SDLILULALIDNSO-UHFFFAOYSA-N
Compound name
5-[[2-(4-hydroxyphenyl)ethylamino]methyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

29
Patents

273.1365 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.143776 162.6
[M+Na]+ 296.125718 169.2
[M-H]- 272.129224 166.8
[M+NH4]+ 291.170323 177.4
[M+K]+ 312.099658 164.8
[M+H-H2O]+ 256.133760 155.0
[M+HCOO]- 318.134701 185.0
[M+CH3COO]- 332.150351 197.7
[M+Na-2H]- 294.111166 167.0
[M]+ 273.13595142 163.5
[M]- 273.13704858 163.5
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

patents stripe