CID 5280691

P-coumaroylagmatine

Structural Information

Molecular Formula
C14H20N4O2
SMILES
C1=CC(=CC=C1/C=C/C(=O)NCCCCN=C(N)N)O
InChI
InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)/b8-5+
InChIKey
AKIHYQWCLCDMMI-VMPITWQZSA-N
Compound name
(E)-N-[4-(diaminomethylideneamino)butyl]-3-(4-hydroxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

22
Patents

276.15863 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16591 165.5
[M+Na]+ 299.14785 168.7
[M-H]- 275.15135 167.5
[M+NH4]+ 294.19245 179.6
[M+K]+ 315.12179 165.4
[M+H-H2O]+ 259.15589 157.3
[M+HCOO]- 321.15683 190.2
[M+CH3COO]- 335.17248 208.3
[M+Na-2H]- 297.13330 167.0
[M]+ 276.15808 161.7
[M]- 276.15918 161.7
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