CID 3070912

87081-21-8

Structural Information

Molecular Formula
C20H25NO4
SMILES
CC(CC1(OC2=CC=CC=C2O1)C)NC(C)C(C3=CC=C(C=C3)O)O
InChI
InChI=1S/C20H25NO4/c1-13(12-20(3)24-17-6-4-5-7-18(17)25-20)21-14(2)19(23)15-8-10-16(22)11-9-15/h4-11,13-14,19,21-23H,12H2,1-3H3
InChIKey
GHZMIKHRJGFMDC-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-[1-(2-methyl-1,3-benzodioxol-2-yl)propan-2-ylamino]propyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.17834 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.185616 184.5
[M+Na]+ 366.167558 188.8
[M-H]- 342.171064 190.4
[M+NH4]+ 361.212163 197.8
[M+K]+ 382.141498 187.7
[M+H-H2O]+ 326.175600 177.9
[M+HCOO]- 388.176541 199.7
[M+CH3COO]- 402.192191 211.3
[M+Na-2H]- 364.153006 186.2
[M]+ 343.17779142 185.7
[M]- 343.17888858 185.7
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

No patent data available for this compound.