CID 3050358

1-thiocoumarin, 3-amino-4-morpholino-

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
C1COCCN1C2=C(C(=O)SC3=CC=CC=C32)N
InChI
InChI=1S/C13H14N2O2S/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
IFDSDUBMADVIQP-UHFFFAOYSA-N
Compound name
3-amino-4-morpholin-4-ylthiochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0776 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08488 154.8
[M+Na]+ 285.06682 168.5
[M+NH4]+ 280.11142 164.1
[M+K]+ 301.04076 159.8
[M-H]- 261.07032 161.2
[M+Na-2H]- 283.05227 161.7
[M]+ 262.07705 159.1
[M]- 262.07815 159.1
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.