CID 36711

34185-02-9

Structural Information

Molecular Formula
C15H24N2O3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)CNC(=O)C)O
InChI
InChI=1S/C15H24N2O3/c1-11(2)16-9-14(19)10-20-15-6-4-13(5-7-15)8-17-12(3)18/h4-7,11,14,16,19H,8-10H2,1-3H3,(H,17,18)
InChIKey
IGUMCQGTANJTCY-UHFFFAOYSA-N
Compound name
N-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

280.17868 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.18596 169.0
[M+Na]+ 303.16790 171.9
[M-H]- 279.17140 170.5
[M+NH4]+ 298.21250 183.4
[M+K]+ 319.14184 170.3
[M+H-H2O]+ 263.17594 161.5
[M+HCOO]- 325.17688 189.9
[M+CH3COO]- 339.19253 205.3
[M+Na-2H]- 301.15335 169.6
[M]+ 280.17813 169.6
[M]- 280.17923 169.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe