CID 59873141

1346601-75-9

Structural Information

Molecular Formula
C17H29NO4
SMILES
CCOCCOCC1=CC=C(C=C1)OCC(CNC(C)C)O
InChI
InChI=1S/C17H29NO4/c1-4-20-9-10-21-12-15-5-7-17(8-6-15)22-13-16(19)11-18-14(2)3/h5-8,14,16,18-19H,4,9-13H2,1-3H3
InChIKey
OPVJAGJYMLRLHP-UHFFFAOYSA-N
Compound name
1-[4-(2-ethoxyethoxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

311.20966 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.21694 177.8
[M+Na]+ 334.19888 180.5
[M-H]- 310.20238 178.7
[M+NH4]+ 329.24348 191.3
[M+K]+ 350.17282 178.9
[M+H-H2O]+ 294.20692 169.9
[M+HCOO]- 356.20786 198.0
[M+CH3COO]- 370.22351 208.7
[M+Na-2H]- 332.18433 178.3
[M]+ 311.20911 182.8
[M]- 311.21021 182.8
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