CID 154449

138768-62-4

Structural Information

Molecular Formula
C15H24N2O4
SMILES
CC(C)N(CC(COC1=CC=C(C=C1)CCOC)O)N=O
InChI
InChI=1S/C15H24N2O4/c1-12(2)17(16-19)10-14(18)11-21-15-6-4-13(5-7-15)8-9-20-3/h4-7,12,14,18H,8-11H2,1-3H3
InChIKey
CHTOBGHTYDROBB-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]-N-propan-2-ylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

296.1736 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.18088 170.9
[M+Na]+ 319.16282 174.4
[M-H]- 295.16632 175.1
[M+NH4]+ 314.20742 185.9
[M+K]+ 335.13676 175.1
[M+H-H2O]+ 279.17086 162.6
[M+HCOO]- 341.17180 195.1
[M+CH3COO]- 355.18745 212.9
[M+Na-2H]- 317.14827 172.7
[M]+ 296.17305 176.9
[M]- 296.17415 176.9
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