CID 2839584

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

Structural Information

Molecular Formula
C18H18N2O4
SMILES
CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)O
InChI
InChI=1S/C18H18N2O4/c1-2-23-15-8-10(6-7-12(15)21)16-11(9-19)18(20)24-14-5-3-4-13(22)17(14)16/h6-8,16,21H,2-5,20H2,1H3
InChIKey
HUCLGTLOXLSOIP-UHFFFAOYSA-N
Compound name
2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.12665 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13393 178.2
[M+Na]+ 349.11587 188.2
[M-H]- 325.11937 183.3
[M+NH4]+ 344.16047 189.7
[M+K]+ 365.08981 182.7
[M+H-H2O]+ 309.12391 164.3
[M+HCOO]- 371.12485 192.3
[M+CH3COO]- 385.14050 220.4
[M+Na-2H]- 347.10132 179.4
[M]+ 326.12610 172.4
[M]- 326.12720 172.4
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.