CID 102110543

Ns00000761

Structural Information

Molecular Formula
C14H22N2O4
SMILES
CC(C)NCC(COC1=C(C=C(C=C1)CC(=O)N)O)O
InChI
InChI=1S/C14H22N2O4/c1-9(2)16-7-11(17)8-20-13-4-3-10(5-12(13)18)6-14(15)19/h3-5,9,11,16-18H,6-8H2,1-2H3,(H2,15,19)
InChIKey
RYNASJKPXMIYQS-UHFFFAOYSA-N
Compound name
2-[3-hydroxy-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.15796 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.165236 167.2
[M+Na]+ 305.147178 170.8
[M-H]- 281.150684 167.2
[M+NH4]+ 300.191783 180.6
[M+K]+ 321.121118 169.0
[M+H-H2O]+ 265.155220 160.1
[M+HCOO]- 327.156161 186.4
[M+CH3COO]- 341.171811 203.6
[M+Na-2H]- 303.132626 166.1
[M]+ 282.15741142 166.4
[M]- 282.15850858 166.4
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.