CID 3068242

Bl-145

Structural Information

Molecular Formula
C15H24N2O4
SMILES
CC(C)(C)NCC(COC1=CC=C(C=C1)NC(=O)OC)O
InChI
InChI=1S/C15H24N2O4/c1-15(2,3)16-9-12(18)10-21-13-7-5-11(6-8-13)17-14(19)20-4/h5-8,12,16,18H,9-10H2,1-4H3,(H,17,19)
InChIKey
NTGLFZJMBKXPEX-UHFFFAOYSA-N
Compound name
methyl N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1736 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.18088 170.9
[M+Na]+ 319.16282 178.0
[M+NH4]+ 314.20742 175.6
[M+K]+ 335.13676 174.8
[M-H]- 295.16632 170.7
[M+Na-2H]- 317.14827 173.9
[M]+ 296.17305 171.4
[M]- 296.17415 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.