CID 43002

3-amino-4-morpholinocoumarin

Structural Information

Molecular Formula
C13H14N2O3
SMILES
C1COCCN1C2=C(C(=O)OC3=CC=CC=C32)N
InChI
InChI=1S/C13H14N2O3/c14-11-12(15-5-7-17-8-6-15)9-3-1-2-4-10(9)18-13(11)16/h1-4H,5-8,14H2
InChIKey
CYCPRMKAIHGCML-UHFFFAOYSA-N
Compound name
3-amino-4-morpholin-4-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

246.10045 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 154.0
[M+Na]+ 269.08967 161.8
[M-H]- 245.09317 161.0
[M+NH4]+ 264.13427 167.6
[M+K]+ 285.06361 160.4
[M+H-H2O]+ 229.09771 145.4
[M+HCOO]- 291.09865 172.1
[M+CH3COO]- 305.11430 165.9
[M+Na-2H]- 267.07512 161.2
[M]+ 246.09990 152.1
[M]- 246.10100 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.