CID 3068252

Bl-246

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CCOC(=O)NC1=CC=C(C=C1)OCC(CNC2CC2)O
InChI
InChI=1S/C15H22N2O4/c1-2-20-15(19)17-12-5-7-14(8-6-12)21-10-13(18)9-16-11-3-4-11/h5-8,11,13,16,18H,2-4,9-10H2,1H3,(H,17,19)
InChIKey
DJGMBGHVDGNMDF-UHFFFAOYSA-N
Compound name
ethyl N-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.15796 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 167.9
[M+Na]+ 317.14718 177.2
[M+NH4]+ 312.19178 174.1
[M+K]+ 333.12112 174.2
[M-H]- 293.15068 176.7
[M+Na-2H]- 315.13263 174.8
[M]+ 294.15741 172.4
[M]- 294.15851 172.4
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.