CID 11948147

Schembl12155405

Structural Information

Molecular Formula
C23H24N2O3
SMILES
COC1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)C=NC4CCCCC4
InChI
InChI=1S/C23H24N2O3/c1-27-18-13-11-17(12-14-18)25-22-19-9-5-6-10-21(19)28-23(26)20(22)15-24-16-7-3-2-4-8-16/h5-6,9-16,25H,2-4,7-8H2,1H3
InChIKey
ZEOCWJDRVYYKGA-UHFFFAOYSA-N
Compound name
3-(cyclohexyliminomethyl)-4-(4-methoxyanilino)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

376.17868 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18596 189.6
[M+Na]+ 399.16790 194.6
[M-H]- 375.17140 201.1
[M+NH4]+ 394.21250 200.5
[M+K]+ 415.14184 190.7
[M+H-H2O]+ 359.17594 178.5
[M+HCOO]- 421.17688 210.9
[M+CH3COO]- 435.19253 199.3
[M+Na-2H]- 397.15335 194.4
[M]+ 376.17813 188.7
[M]- 376.17923 188.7
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