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 154.9
[M+Na]+ 285.06682 162.9
[M-H]- 261.07032 161.2
[M+NH4]+ 280.11142 170.0
[M+K]+ 301.04076 159.2
[M+H-H2O]+ 245.07486 147.2
[M+HCOO]- 307.07580 169.0
[M+CH3COO]- 321.09145 166.4
[M+Na-2H]- 283.05227 159.3
[M]+ 262.07705 153.3
[M]- 262.07815 153.3
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.