CID 5458878

Nb-p-coumaroyltryptamine

Structural Information

Molecular Formula
C19H18N2O2
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)/C=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C19H18N2O2/c22-16-8-5-14(6-9-16)7-10-19(23)20-12-11-15-13-21-18-4-2-1-3-17(15)18/h1-10,13,21-22H,11-12H2,(H,20,23)/b10-7+
InChIKey
CDMGLLBADMBULG-JXMROGBWSA-N
Compound name
(E)-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

306.13684 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 173.7
[M+Na]+ 329.12606 186.3
[M+NH4]+ 324.17066 180.6
[M+K]+ 345.10000 180.3
[M-H]- 305.12956 176.8
[M+Na-2H]- 327.11151 180.5
[M]+ 306.13629 176.1
[M]- 306.13739 176.1
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