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]+ 370.164896 188.0
[M+Na]+ 392.146838 194.1
[M-H]- 368.150344 195.9
[M+NH4]+ 387.191443 199.5
[M+K]+ 408.120778 192.5
[M+H-H2O]+ 352.154880 178.4
[M+HCOO]- 414.155821 208.4
[M+CH3COO]- 428.171471 220.8
[M+Na-2H]- 390.132286 191.7
[M]+ 369.15707142 193.9
[M]- 369.15816858 193.9
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.