CID 2831038

2-amino-4-(4-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=C(C=C3)O)C(=O)C1
InChI
InChI=1S/C16H14N2O3/c17-8-11-14(9-4-6-10(19)7-5-9)15-12(20)2-1-3-13(15)21-16(11)18/h4-7,14,19H,1-3,18H2
InChIKey
YHLGHERMPLXOQN-UHFFFAOYSA-N
Compound name
2-amino-4-(4-hydroxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
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]+ 283.107706 167.8
[M+Na]+ 305.089648 178.3
[M-H]- 281.093154 173.0
[M+NH4]+ 300.134253 180.9
[M+K]+ 321.063588 172.1
[M+H-H2O]+ 265.097690 154.4
[M+HCOO]- 327.098631 182.5
[M+CH3COO]- 341.114281 177.5
[M+Na-2H]- 303.075096 170.5
[M]+ 282.09988142 159.9
[M]- 282.10097858 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

literature stripe

Patent stripe

No patent data available for this compound.