CID 2849105

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

Structural Information

Molecular Formula
C22H24N2O2
SMILES
C1CCC(CC1)C2C(=C(OC3=C2C(=O)CC(C3)C4=CC=CC=C4)N)C#N
InChI
InChI=1S/C22H24N2O2/c23-13-17-20(15-9-5-2-6-10-15)21-18(25)11-16(12-19(21)26-22(17)24)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,20H,2,5-6,9-12,24H2
InChIKey
UTMRMZKAQQUIPH-UHFFFAOYSA-N
Compound name
2-amino-4-cyclohexyl-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

348.18378 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 187.1
[M+Na]+ 371.17300 194.6
[M-H]- 347.17650 194.2
[M+NH4]+ 366.21760 197.5
[M+K]+ 387.14694 186.0
[M+H-H2O]+ 331.18104 171.8
[M+HCOO]- 393.18198 198.3
[M+CH3COO]- 407.19763 194.3
[M+Na-2H]- 369.15845 186.6
[M]+ 348.18323 175.0
[M]- 348.18433 175.0
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.