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

0
Patents

282.15796 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16524 167.2
[M+Na]+ 305.14718 170.4
[M-H]- 281.15068 168.8
[M+NH4]+ 300.19178 181.5
[M+K]+ 321.12112 169.7
[M+H-H2O]+ 265.15522 159.6
[M+HCOO]- 327.15616 188.7
[M+CH3COO]- 341.17181 203.8
[M+Na-2H]- 303.13263 168.4
[M]+ 282.15741 168.8
[M]- 282.15851 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.