CID 3068254

Bl-249

Structural Information

Molecular Formula
C18H28N2O4
SMILES
CCOC(=O)NC1=CC=C(C=C1)OCC(CNC2CCCCC2)O
InChI
InChI=1S/C18H28N2O4/c1-2-23-18(22)20-15-8-10-17(11-9-15)24-13-16(21)12-19-14-6-4-3-5-7-14/h8-11,14,16,19,21H,2-7,12-13H2,1H3,(H,20,22)
InChIKey
HMAGRSHIPBMLOH-UHFFFAOYSA-N
Compound name
ethyl N-[4-[3-(cyclohexylamino)-2-hydroxypropoxy]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.2049 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21218 180.1
[M+Na]+ 359.19412 180.0
[M-H]- 335.19762 183.4
[M+NH4]+ 354.23872 191.5
[M+K]+ 375.16806 177.9
[M+H-H2O]+ 319.20216 171.2
[M+HCOO]- 381.20310 198.4
[M+CH3COO]- 395.21875 211.8
[M+Na-2H]- 357.17957 180.6
[M]+ 336.20435 177.0
[M]- 336.20545 177.0
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.