CID 55159

83823-31-8

Structural Information

Molecular Formula
C21H23NO5
SMILES
COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C(=CC=C3)OC)OC2)OC
InChI
InChI=1S/C21H23NO5/c1-24-17-8-7-14(11-19(17)26-3)9-10-22-21(23)16-12-15-5-4-6-18(25-2)20(15)27-13-16/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,23)
InChIKey
RNYDUTJFQRNXFF-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-2H-chromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.15762 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16490 187.9
[M+Na]+ 392.14684 201.3
[M+NH4]+ 387.19144 194.7
[M+K]+ 408.12078 194.3
[M-H]- 368.15034 193.6
[M+Na-2H]- 390.13229 193.8
[M]+ 369.15707 191.4
[M]- 369.15817 191.4
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.