CID 2840350

2-amino-4-(3-methoxyphenyl)-4h-benzo[h]chromene-3-carbonitrile

Structural Information

Molecular Formula
C21H16N2O2
SMILES
COC1=CC=CC(=C1)C2C3=C(C4=CC=CC=C4C=C3)OC(=C2C#N)N
InChI
InChI=1S/C21H16N2O2/c1-24-15-7-4-6-14(11-15)19-17-10-9-13-5-2-3-8-16(13)20(17)25-21(23)18(19)12-22/h2-11,19H,23H2,1H3
InChIKey
QMOAGEFZQCHUSG-UHFFFAOYSA-N
Compound name
2-amino-4-(3-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

328.1212 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12848 184.5
[M+Na]+ 351.11042 200.2
[M+NH4]+ 346.15502 190.3
[M+K]+ 367.08436 187.7
[M-H]- 327.11392 184.8
[M+Na-2H]- 349.09587 189.0
[M]+ 328.12065 186.3
[M]- 328.12175 186.3
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

patents stripe