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

10
Patents

296.1736 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.180876 171.1
[M+Na]+ 319.162818 174.7
[M-H]- 295.166324 172.8
[M+NH4]+ 314.207423 185.1
[M+K]+ 335.136758 173.7
[M+H-H2O]+ 279.170860 164.0
[M+HCOO]- 341.171801 191.7
[M+CH3COO]- 355.187451 205.6
[M+Na-2H]- 317.148266 174.0
[M]+ 296.17305142 173.1
[M]- 296.17414858 173.1
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.