CID 21122811

57471-01-9

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

379.2471 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.25438 194.0
[M+Na]+ 402.23632 195.9
[M-H]- 378.23982 195.6
[M+NH4]+ 397.28092 204.6
[M+K]+ 418.21026 195.0
[M+H-H2O]+ 362.24436 186.9
[M+HCOO]- 424.24530 211.6
[M+CH3COO]- 438.26095 227.1
[M+Na-2H]- 400.22177 194.4
[M]+ 379.24655 195.5
[M]- 379.24765 195.5
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.