CID 129318402

2727065-34-9

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]+ 380.254376 197.0
[M+Na]+ 402.236318 198.3
[M-H]- 378.239824 200.8
[M+NH4]+ 397.280923 208.4
[M+K]+ 418.210258 198.8
[M+H-H2O]+ 362.244360 188.1
[M+HCOO]- 424.245301 218.6
[M+CH3COO]- 438.260951 233.9
[M+Na-2H]- 400.221766 193.4
[M]+ 379.24655142 202.2
[M]- 379.24764858 202.2
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.