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]+ 351.22783 185.1
[M+Na]+ 373.20977 184.3
[M-H]- 349.21327 188.3
[M+NH4]+ 368.25437 195.8
[M+K]+ 389.18371 182.6
[M+H-H2O]+ 333.21781 176.2
[M+HCOO]- 395.21875 202.0
[M+CH3COO]- 409.23440 215.8
[M+Na-2H]- 371.19522 183.9
[M]+ 350.22000 181.7
[M]- 350.22110 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.