CID 5280691

Refchem:1081973

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

30
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.