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]+ 344.18562 184.5
[M+Na]+ 366.16756 188.8
[M-H]- 342.17106 190.4
[M+NH4]+ 361.21216 197.8
[M+K]+ 382.14150 187.7
[M+H-H2O]+ 326.17560 177.9
[M+HCOO]- 388.17654 199.7
[M+CH3COO]- 402.19219 211.3
[M+Na-2H]- 364.15301 186.2
[M]+ 343.17779 185.7
[M]- 343.17889 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.