CID 3068250

Bl-643

Structural Information

Molecular Formula
C19H30N2O4
SMILES
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)OC2CCCCC2)O
InChI
InChI=1S/C19H30N2O4/c1-14(2)20-12-16(22)13-24-17-10-8-15(9-11-17)21-19(23)25-18-6-4-3-5-7-18/h8-11,14,16,18,20,22H,3-7,12-13H2,1-2H3,(H,21,23)
InChIKey
QZLRLFSMBHRGEE-UHFFFAOYSA-N
Compound name
cyclohexyl N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

350.22055 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.227826 185.1
[M+Na]+ 373.209768 184.3
[M-H]- 349.213274 188.3
[M+NH4]+ 368.254373 195.8
[M+K]+ 389.183708 182.6
[M+H-H2O]+ 333.217810 176.2
[M+HCOO]- 395.218751 202.0
[M+CH3COO]- 409.234401 215.8
[M+Na-2H]- 371.195216 183.9
[M]+ 350.22000142 181.7
[M]- 350.22109858 181.7
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.