CID 3068240

Bl-143

Structural Information

Molecular Formula
C14H22N2O4
SMILES
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)OC)O
InChI
InChI=1S/C14H22N2O4/c1-10(2)15-8-12(17)9-20-13-6-4-11(5-7-13)16-14(18)19-3/h4-7,10,12,15,17H,8-9H2,1-3H3,(H,16,18)
InChIKey
RJPIMSDHPFMIRF-UHFFFAOYSA-N
Compound name
methyl N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

282.15796 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.165236 167.2
[M+Na]+ 305.147178 170.4
[M-H]- 281.150684 168.8
[M+NH4]+ 300.191783 181.5
[M+K]+ 321.121118 169.7
[M+H-H2O]+ 265.155220 159.6
[M+HCOO]- 327.156161 188.7
[M+CH3COO]- 341.171811 203.8
[M+Na-2H]- 303.132626 168.4
[M]+ 282.15741142 168.8
[M]- 282.15850858 168.8
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.