CID 217349

38649-69-3

Structural Information

Molecular Formula
C16H27N3O3
SMILES
CCNC(=O)NC1=CC=C(C=C1)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C16H27N3O3/c1-5-17-15(21)19-12-6-8-14(9-7-12)22-11-13(20)10-18-16(2,3)4/h6-9,13,18,20H,5,10-11H2,1-4H3,(H2,17,19,21)
InChIKey
ZGESGEQWQQQWGH-UHFFFAOYSA-N
Compound name
1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

309.20523 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21251 176.1
[M+Na]+ 332.19445 178.4
[M-H]- 308.19795 177.6
[M+NH4]+ 327.23905 189.3
[M+K]+ 348.16839 176.8
[M+H-H2O]+ 292.20249 168.5
[M+HCOO]- 354.20343 197.1
[M+CH3COO]- 368.21908 211.8
[M+Na-2H]- 330.17990 178.8
[M]+ 309.20468 176.2
[M]- 309.20578 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe