CID 113873

Brn 2471984

Structural Information

Molecular Formula
C18H30N2O3
SMILES
CCC(=O)C1=CC=C(C=C1)OCC(CNCCN(CC)CC)O
InChI
InChI=1S/C18H30N2O3/c1-4-18(22)15-7-9-17(10-8-15)23-14-16(21)13-19-11-12-20(5-2)6-3/h7-10,16,19,21H,4-6,11-14H2,1-3H3
InChIKey
YGBYMILEURDRKI-UHFFFAOYSA-N
Compound name
1-[4-[3-[2-(diethylamino)ethylamino]-2-hydroxypropoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.22565 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.23293 181.4
[M+Na]+ 345.21487 188.8
[M+NH4]+ 340.25947 186.6
[M+K]+ 361.18881 183.5
[M-H]- 321.21837 182.5
[M+Na-2H]- 343.20032 184.3
[M]+ 322.22510 182.3
[M]- 322.22620 182.3
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.