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

1
Patents

344.21 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.21728 184.7
[M+Na]+ 367.19922 188.6
[M-H]- 343.20272 188.5
[M+NH4]+ 362.24382 196.2
[M+K]+ 383.17316 184.8
[M+H-H2O]+ 327.20726 176.7
[M+HCOO]- 389.20820 204.0
[M+CH3COO]- 403.22385 215.7
[M+Na-2H]- 365.18467 187.1
[M]+ 344.20945 185.0
[M]- 344.21055 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