CID 198553

73728-41-3

Structural Information

Molecular Formula
C16H17NO5
SMILES
C1COCCN1CCOC(=O)C2=CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C16H17NO5/c18-15(21-10-7-17-5-8-20-9-6-17)13-11-12-3-1-2-4-14(12)22-16(13)19/h1-4,11H,5-10H2
InChIKey
DZKGSCMHTILNRS-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-oxochromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1107 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11798 167.0
[M+Na]+ 326.09992 173.0
[M-H]- 302.10342 173.7
[M+NH4]+ 321.14452 178.2
[M+K]+ 342.07386 172.6
[M+H-H2O]+ 286.10796 157.7
[M+HCOO]- 348.10890 183.2
[M+CH3COO]- 362.12455 201.4
[M+Na-2H]- 324.08537 172.9
[M]+ 303.11015 168.6
[M]- 303.11125 168.6
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.