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 190.0
[M+Na]+ 411.16790 204.0
[M-H]- 387.17140 200.3
[M+NH4]+ 406.21250 197.2
[M+K]+ 427.14184 194.2
[M+H-H2O]+ 371.17594 177.6
[M+HCOO]- 433.17688 207.9
[M+CH3COO]- 447.19253 233.6
[M+Na-2H]- 409.15335 193.7
[M]+ 388.17813 191.1
[M]- 388.17923 191.1
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