CID 6476951

(e)-1-(4-aminophenyl)-3-(2-amino-3-pyridyl)prop-2-en-1-one

Structural Information

Molecular Formula
C14H13N3O
SMILES
C1=CC(=C(N=C1)N)/C=C/C(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H13N3O/c15-12-6-3-10(4-7-12)13(18)8-5-11-2-1-9-17-14(11)16/h1-9H,15H2,(H2,16,17)/b8-5+
InChIKey
JLTKMXNGHVBKCW-VMPITWQZSA-N
Compound name
(E)-1-(4-aminophenyl)-3-(2-aminopyridin-3-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.10587 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11315 154.8
[M+Na]+ 262.09509 161.9
[M-H]- 238.09859 159.4
[M+NH4]+ 257.13969 169.8
[M+K]+ 278.06903 156.9
[M+H-H2O]+ 222.10313 146.3
[M+HCOO]- 284.10407 178.3
[M+CH3COO]- 298.11972 196.3
[M+Na-2H]- 260.08054 159.0
[M]+ 239.10532 151.1
[M]- 239.10642 151.1
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

No patent data available for this compound.