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

296
Patents

371.17328 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18056 189.0
[M+Na]+ 394.16250 195.1
[M-H]- 370.16600 195.6
[M+NH4]+ 389.20710 201.1
[M+K]+ 410.13644 192.3
[M+H-H2O]+ 354.17054 179.7
[M+HCOO]- 416.17148 212.3
[M+CH3COO]- 430.18713 221.0
[M+Na-2H]- 392.14795 189.8
[M]+ 371.17273 196.3
[M]- 371.17383 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

literature stripe

Patent stripe

patents stripe