CID 129318402

3-[3-acetyl-4-[(2rs)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea

Structural Information

Molecular Formula
C20H33N3O4
SMILES
CCN(CC)CC(COC1=C(C=C(C=C1)NC(=O)N(CC)CC)C(=O)C)O
InChI
InChI=1S/C20H33N3O4/c1-6-22(7-2)13-17(25)14-27-19-11-10-16(12-18(19)15(5)24)21-20(26)23(8-3)9-4/h10-12,17,25H,6-9,13-14H2,1-5H3,(H,21,26)
InChIKey
PNSNHCBKRZFNRO-UHFFFAOYSA-N
Compound name
3-[3-acetyl-4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.2471 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.25438 195.1
[M+Na]+ 402.23632 200.6
[M+NH4]+ 397.28092 198.6
[M+K]+ 418.21026 197.3
[M-H]- 378.23982 195.6
[M+Na-2H]- 400.22177 196.3
[M]+ 379.24655 195.4
[M]- 379.24765 195.4
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.