CID 493101

Chembl44920

Structural Information

Molecular Formula
C22H30N4O2
SMILES
CN(C)C1=CC(=CC=C1)OCCCCCCN2CCN(C2=O)C3=CC=NC=C3
InChI
InChI=1S/C22H30N4O2/c1-24(2)20-8-7-9-21(18-20)28-17-6-4-3-5-14-25-15-16-26(22(25)27)19-10-12-23-13-11-19/h7-13,18H,3-6,14-17H2,1-2H3
InChIKey
ALTWBVPGJUGQCE-UHFFFAOYSA-N
Compound name
1-[6-[3-(dimethylamino)phenoxy]hexyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.23688 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.24416 195.1
[M+Na]+ 405.22610 199.1
[M-H]- 381.22960 201.1
[M+NH4]+ 400.27070 204.2
[M+K]+ 421.20004 194.6
[M+H-H2O]+ 365.23414 182.7
[M+HCOO]- 427.23508 213.9
[M+CH3COO]- 441.25073 225.1
[M+Na-2H]- 403.21155 194.3
[M]+ 382.23633 197.4
[M]- 382.23743 197.4
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.