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 182.3
[M+Na]+ 345.21487 184.2
[M-H]- 321.21837 184.5
[M+NH4]+ 340.25947 195.6
[M+K]+ 361.18881 182.7
[M+H-H2O]+ 305.22291 173.9
[M+HCOO]- 367.22385 203.6
[M+CH3COO]- 381.23950 217.3
[M+Na-2H]- 343.20032 181.8
[M]+ 322.22510 185.9
[M]- 322.22620 185.9
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

No patent data available for this compound.