CID 15521527

192315-08-5

Structural Information

Molecular Formula
C24H24N2O3
SMILES
COC1=C(C2=C(C=CC(O2)C3CC3)C(=C1)C/C(=C/NC4=CC=CC=C4)/C#N)OC
InChI
InChI=1S/C24H24N2O3/c1-27-22-13-18(12-16(14-25)15-26-19-6-4-3-5-7-19)20-10-11-21(17-8-9-17)29-23(20)24(22)28-2/h3-7,10-11,13,15,17,21,26H,8-9,12H2,1-2H3/b16-15-
InChIKey
IDCOIAQFDGPRFL-NXVVXOECSA-N
Compound name
(Z)-3-anilino-2-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

388.17868 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18596 196.8
[M+Na]+ 411.16790 210.8
[M+NH4]+ 406.21250 201.5
[M+K]+ 427.14184 200.8
[M-H]- 387.17140 202.7
[M+Na-2H]- 409.15335 202.6
[M]+ 388.17813 200.8
[M]- 388.17923 200.8
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

patents stripe