CID 217351

38649-71-7

Structural Information

Molecular Formula
C15H25N3O3
SMILES
CC(C)(C)NCC(COC1=CC=C(C=C1)NC(=O)NC)O
InChI
InChI=1S/C15H25N3O3/c1-15(2,3)17-9-12(19)10-21-13-7-5-11(6-8-13)18-14(20)16-4/h5-8,12,17,19H,9-10H2,1-4H3,(H2,16,18,20)
InChIKey
HSXDNUPPKRMZMA-UHFFFAOYSA-N
Compound name
1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

295.1896 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.19688 171.6
[M+Na]+ 318.17882 174.4
[M-H]- 294.18232 173.3
[M+NH4]+ 313.22342 185.4
[M+K]+ 334.15276 173.0
[M+H-H2O]+ 278.18686 164.3
[M+HCOO]- 340.18780 193.0
[M+CH3COO]- 354.20345 208.8
[M+Na-2H]- 316.16427 174.8
[M]+ 295.18905 171.4
[M]- 295.19015 171.4
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