CID 455823

Chembl307357

Structural Information

Molecular Formula
C13H28N4O3
SMILES
CC(C)(C)NC(=O)NCC(CNC(=O)NC(C)(C)C)O
InChI
InChI=1S/C13H28N4O3/c1-12(2,3)16-10(19)14-7-9(18)8-15-11(20)17-13(4,5)6/h9,18H,7-8H2,1-6H3,(H2,14,16,19)(H2,15,17,20)
InChIKey
OERDWIDNFQINNV-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-[3-(tert-butylcarbamoylamino)-2-hydroxypropyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.21616 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22344 171.7
[M+Na]+ 311.20538 173.1
[M-H]- 287.20888 170.1
[M+NH4]+ 306.24998 185.6
[M+K]+ 327.17932 173.5
[M+H-H2O]+ 271.21342 165.6
[M+HCOO]- 333.21436 190.8
[M+CH3COO]- 347.23001 209.9
[M+Na-2H]- 309.19083 173.8
[M]+ 288.21561 169.7
[M]- 288.21671 169.7
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.