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]+ 349.191056 187.1
[M+Na]+ 371.172998 194.6
[M-H]- 347.176504 194.2
[M+NH4]+ 366.217603 197.5
[M+K]+ 387.146938 186.0
[M+H-H2O]+ 331.181040 171.8
[M+HCOO]- 393.181981 198.3
[M+CH3COO]- 407.197631 194.3
[M+Na-2H]- 369.158446 186.6
[M]+ 348.18323142 175.0
[M]- 348.18432858 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.