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 162.9
[M+Na]+ 317.14718 168.1
[M-H]- 293.15068 168.4
[M+NH4]+ 312.19178 172.2
[M+K]+ 333.12112 164.8
[M+H-H2O]+ 277.15522 155.3
[M+HCOO]- 339.15616 185.7
[M+CH3COO]- 353.17181 206.6
[M+Na-2H]- 315.13263 166.1
[M]+ 294.15741 167.0
[M]- 294.15851 167.0
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.