CID 29315

Bs-34

Structural Information

Molecular Formula
C18H23NO3
SMILES
CC(C(C1=CC=CC=C1)O)NCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C18H23NO3/c1-13(18(20)15-7-5-4-6-8-15)19-12-14-9-10-16(21-2)17(11-14)22-3/h4-11,13,18-20H,12H2,1-3H3
InChIKey
VVQHUKVVWXNUGL-UHFFFAOYSA-N
Compound name
2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1678 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 172.4
[M+Na]+ 324.15702 176.9
[M-H]- 300.16052 177.4
[M+NH4]+ 319.20162 186.2
[M+K]+ 340.13096 174.1
[M+H-H2O]+ 284.16506 164.1
[M+HCOO]- 346.16600 193.5
[M+CH3COO]- 360.18165 206.6
[M+Na-2H]- 322.14247 174.3
[M]+ 301.16725 174.1
[M]- 301.16835 174.1
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.