CID 455824

Chembl76542

Structural Information

Molecular Formula
C21H44N4O3
SMILES
CC(C)CN(CC(CN(CC(C)C)C(=O)NC(C)(C)C)O)C(=O)NC(C)(C)C
InChI
InChI=1S/C21H44N4O3/c1-15(2)11-24(18(27)22-20(5,6)7)13-17(26)14-25(12-16(3)4)19(28)23-21(8,9)10/h15-17,26H,11-14H2,1-10H3,(H,22,27)(H,23,28)
InChIKey
AQZNBJCKLALSOU-UHFFFAOYSA-N
Compound name
3-tert-butyl-1-[3-[tert-butylcarbamoyl(2-methylpropyl)amino]-2-hydroxypropyl]-1-(2-methylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.34134 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.34862 205.5
[M+Na]+ 423.33056 229.0
[M-H]- 399.33406 224.6
[M+NH4]+ 418.37516 224.4
[M+K]+ 439.30450 206.6
[M+H-H2O]+ 383.33860 198.6
[M+HCOO]- 445.33954 209.6
[M+CH3COO]- 459.35519 241.6
[M+Na-2H]- 421.31601 200.5
[M]+ 400.34079 209.8
[M]- 400.34189 209.8
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.