CID 190378

Bl-543

Structural Information

Molecular Formula
C18H30N2O4
SMILES
CCCCCOC(=O)NC1=CC=C(C=C1)OCC(CNC(C)C)O
InChI
InChI=1S/C18H30N2O4/c1-4-5-6-11-23-18(22)20-15-7-9-17(10-8-15)24-13-16(21)12-19-14(2)3/h7-10,14,16,19,21H,4-6,11-13H2,1-3H3,(H,20,22)
InChIKey
QJILICAJEUQZNA-UHFFFAOYSA-N
Compound name
pentyl 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

338.22055 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.22783 185.3
[M+Na]+ 361.20977 186.7
[M-H]- 337.21327 186.1
[M+NH4]+ 356.25437 197.2
[M+K]+ 377.18371 185.1
[M+H-H2O]+ 321.21781 176.9
[M+HCOO]- 383.21875 205.4
[M+CH3COO]- 397.23440 215.7
[M+Na-2H]- 359.19522 184.4
[M]+ 338.22000 188.3
[M]- 338.22110 188.3
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.