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

129
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 176.5
[M+Na]+ 339.16790 180.5
[M-H]- 315.17140 179.8
[M+NH4]+ 334.21250 188.6
[M+K]+ 355.14184 176.8
[M+H-H2O]+ 299.17594 168.3
[M+HCOO]- 361.17688 196.4
[M+CH3COO]- 375.19253 210.4
[M+Na-2H]- 337.15335 176.6
[M]+ 316.17813 175.0
[M]- 316.17923 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