CID 148807

Dtxsid80973006

Structural Information

Molecular Formula
C20H33N3O4
SMILES
CC(=O)C1=C(C=CC(=C1)N(C(=O)N)C(C)(C)C)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C20H33N3O4/c1-13(24)16-10-14(23(18(21)26)20(5,6)7)8-9-17(16)27-12-15(25)11-22-19(2,3)4/h8-10,15,22,25H,11-12H2,1-7H3,(H2,21,26)
InChIKey
UDEVMEWLWWQNCU-UHFFFAOYSA-N
Compound name
1-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1-tert-butylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.2471 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.254376 193.4
[M+Na]+ 402.236318 195.4
[M-H]- 378.239824 195.9
[M+NH4]+ 397.280923 204.2
[M+K]+ 418.210258 195.6
[M+H-H2O]+ 362.244360 186.3
[M+HCOO]- 424.245301 210.8
[M+CH3COO]- 438.260951 230.5
[M+Na-2H]- 400.221766 192.1
[M]+ 379.24655142 195.2
[M]- 379.24764858 195.2
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.