CID 1009344

(4r)-2-amino-4-[2-[(4-fluorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4h-chromene-3-carbonitrile

Structural Information

Molecular Formula
C25H23FN2O3
SMILES
CC1(CC2=C([C@@H](C(=C(O2)N)C#N)C3=CC=CC=C3OCC4=CC=C(C=C4)F)C(=O)C1)C
InChI
InChI=1S/C25H23FN2O3/c1-25(2)11-19(29)23-21(12-25)31-24(28)18(13-27)22(23)17-5-3-4-6-20(17)30-14-15-7-9-16(26)10-8-15/h3-10,22H,11-12,14,28H2,1-2H3/t22-/m1/s1
InChIKey
IZWGYTYFDIKNKH-JOCHJYFZSA-N
Compound name
(4R)-2-amino-4-[2-[(4-fluorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.16928 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17656 204.1
[M+Na]+ 441.15850 217.8
[M+NH4]+ 436.20310 208.8
[M+K]+ 457.13244 204.3
[M-H]- 417.16200 203.0
[M+Na-2H]- 439.14395 208.2
[M]+ 418.16873 205.2
[M]- 418.16983 205.2
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.