CID 22642289

150513-24-9

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)N)O
InChI
InChI=1S/C18H24N2O3/c1-12(9-13-3-6-15(23-2)7-4-13)20-11-18(22)14-5-8-17(21)16(19)10-14/h3-8,10,12,18,20-22H,9,11,19H2,1-2H3
InChIKey
AMISPUNGCBUARA-UHFFFAOYSA-N
Compound name
2-amino-4-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

316.17868 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.18596 177.7
[M+Na]+ 339.16790 187.8
[M+NH4]+ 334.21250 183.7
[M+K]+ 355.14184 182.5
[M-H]- 315.17140 181.1
[M+Na-2H]- 337.15335 183.1
[M]+ 316.17813 179.8
[M]- 316.17923 179.8
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

patents stripe