CID 3079190

124500-23-8

Structural Information

Molecular Formula
C15H20ClNO4
SMILES
C1C(C(=O)OC1C2=CC=C(C=C2)Cl)CN(CCO)CCO
InChI
InChI=1S/C15H20ClNO4/c16-13-3-1-11(2-4-13)14-9-12(15(20)21-14)10-17(5-7-18)6-8-19/h1-4,12,14,18-19H,5-10H2
InChIKey
QAZONVNJUNYEBM-UHFFFAOYSA-N
Compound name
3-[[bis(2-hydroxyethyl)amino]methyl]-5-(4-chlorophenyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1081 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11538 171.2
[M+Na]+ 336.09732 181.2
[M+NH4]+ 331.14192 177.7
[M+K]+ 352.07126 177.5
[M-H]- 312.10082 174.5
[M+Na-2H]- 334.08277 174.6
[M]+ 313.10755 173.5
[M]- 313.10865 173.5
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.