CID 3061342

Brn 4483051

Structural Information

Molecular Formula
C17H29NO4
SMILES
CCC(C1=CC(=C(C=C1)OCC(CNC(C)C)O)C(C)O)O
InChI
InChI=1S/C17H29NO4/c1-5-16(21)13-6-7-17(15(8-13)12(4)19)22-10-14(20)9-18-11(2)3/h6-8,11-12,14,16,18-21H,5,9-10H2,1-4H3
InChIKey
NZGYIHWHBWCLOL-UHFFFAOYSA-N
Compound name
1-[2-(1-hydroxyethyl)-4-(1-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.20966 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.21694 178.5
[M+Na]+ 334.19888 180.7
[M-H]- 310.20238 177.1
[M+NH4]+ 329.24348 190.7
[M+K]+ 350.17282 178.9
[M+H-H2O]+ 294.20692 171.7
[M+HCOO]- 356.20786 193.6
[M+CH3COO]- 370.22351 207.2
[M+Na-2H]- 332.18433 174.8
[M]+ 311.20911 178.8
[M]- 311.21021 178.8
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

No patent data available for this compound.