CID 1042026

Rubemamine

Structural Information

Molecular Formula
C21H25NO5
SMILES
COC1=C(C=C(C=C1)CCNC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C21H25NO5/c1-24-17-8-5-15(13-19(17)26-3)7-10-21(23)22-12-11-16-6-9-18(25-2)20(14-16)27-4/h5-10,13-14H,11-12H2,1-4H3,(H,22,23)/b10-7+
InChIKey
OZNUPWACHHUIKC-JXMROGBWSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

275
Patents

371.17328 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.180556 189.0
[M+Na]+ 394.162498 195.1
[M-H]- 370.166004 195.6
[M+NH4]+ 389.207103 201.1
[M+K]+ 410.136438 192.3
[M+H-H2O]+ 354.170540 179.7
[M+HCOO]- 416.171481 212.3
[M+CH3COO]- 430.187131 221.0
[M+Na-2H]- 392.147946 189.8
[M]+ 371.17273142 196.3
[M]- 371.17382858 196.3
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.