CID 42378

57494-85-6

Structural Information

Molecular Formula
C15H24N2O3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)N(C)C(=O)C)O
InChI
InChI=1S/C15H24N2O3/c1-11(2)16-9-14(19)10-20-15-7-5-13(6-8-15)17(4)12(3)18/h5-8,11,14,16,19H,9-10H2,1-4H3
InChIKey
GNBAJVHACSTUPO-UHFFFAOYSA-N
Compound name
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.17868 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.18596 169.2
[M+Na]+ 303.16790 172.3
[M-H]- 279.17140 172.1
[M+NH4]+ 298.21250 184.2
[M+K]+ 319.14184 172.1
[M+H-H2O]+ 263.17594 161.6
[M+HCOO]- 325.17688 190.6
[M+CH3COO]- 339.19253 208.6
[M+Na-2H]- 301.15335 169.0
[M]+ 280.17813 171.1
[M]- 280.17923 171.1
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