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]+ 380.25438 197.0
[M+Na]+ 402.23632 198.3
[M-H]- 378.23982 200.8
[M+NH4]+ 397.28092 208.4
[M+K]+ 418.21026 198.8
[M+H-H2O]+ 362.24436 188.1
[M+HCOO]- 424.24530 218.6
[M+CH3COO]- 438.26095 233.9
[M+Na-2H]- 400.22177 193.4
[M]+ 379.24655 202.2
[M]- 379.24765 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.