CID 3118455

2-amino-4-(3-hydroxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4h-chromene-3-carbonitrile

Structural Information

Molecular Formula
C16H14N2O3
SMILES
C1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)O)C(=O)C1
InChI
InChI=1S/C16H14N2O3/c17-8-11-14(9-3-1-4-10(19)7-9)15-12(20)5-2-6-13(15)21-16(11)18/h1,3-4,7,14,19H,2,5-6,18H2
InChIKey
LTSDHGJQZPQDEP-UHFFFAOYSA-N
Compound name
2-amino-4-(3-hydroxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.10043 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 167.8
[M+Na]+ 305.08965 178.3
[M-H]- 281.09315 173.0
[M+NH4]+ 300.13425 180.9
[M+K]+ 321.06359 172.1
[M+H-H2O]+ 265.09769 154.4
[M+HCOO]- 327.09863 182.5
[M+CH3COO]- 341.11428 177.5
[M+Na-2H]- 303.07510 170.5
[M]+ 282.09988 159.9
[M]- 282.10098 159.9
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.