CID 162925

60853-38-5

Structural Information

Molecular Formula
C20H28N2O3
SMILES
CC(C)(C)NCC(C1=CC(=C(C=C1)O)NCC2=CC=C(C=C2)OC)O
InChI
InChI=1S/C20H28N2O3/c1-20(2,3)22-13-19(24)15-7-10-18(23)17(11-15)21-12-14-5-8-16(25-4)9-6-14/h5-11,19,21-24H,12-13H2,1-4H3
InChIKey
CWNSARGKNRTVBY-UHFFFAOYSA-N
Compound name
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-[(4-methoxyphenyl)methylamino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

344.21 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.217276 184.7
[M+Na]+ 367.199218 188.6
[M-H]- 343.202724 188.5
[M+NH4]+ 362.243823 196.2
[M+K]+ 383.173158 184.8
[M+H-H2O]+ 327.207260 176.7
[M+HCOO]- 389.208201 204.0
[M+CH3COO]- 403.223851 215.7
[M+Na-2H]- 365.184666 187.1
[M]+ 344.20945142 185.0
[M]- 344.21054858 185.0
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