CID 2737879

2-amino-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4h-chromene-3-carbonitrile

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3)C(=O)C1)C
InChI
InChI=1S/C18H18N2O2/c1-18(2)8-13(21)16-14(9-18)22-17(20)12(10-19)15(16)11-6-4-3-5-7-11/h3-7,15H,8-9,20H2,1-2H3
InChIKey
DBEOMZGGGVXFHZ-UHFFFAOYSA-N
Compound name
2-amino-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

12
Patents

294.13684 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 172.8
[M+Na]+ 317.12606 184.2
[M-H]- 293.12956 179.3
[M+NH4]+ 312.17066 188.0
[M+K]+ 333.10000 177.3
[M+H-H2O]+ 277.13410 159.3
[M+HCOO]- 339.13504 188.1
[M+CH3COO]- 353.15069 182.8
[M+Na-2H]- 315.11151 175.8
[M]+ 294.13629 166.1
[M]- 294.13739 166.1
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.