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

134
Patents

316.17868 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.185956 176.5
[M+Na]+ 339.167898 180.5
[M-H]- 315.171404 179.8
[M+NH4]+ 334.212503 188.6
[M+K]+ 355.141838 176.8
[M+H-H2O]+ 299.175940 168.3
[M+HCOO]- 361.176881 196.4
[M+CH3COO]- 375.192531 210.4
[M+Na-2H]- 337.153346 176.6
[M]+ 316.17813142 175.0
[M]- 316.17922858 175.0
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