CID 9575073

Nsc697680

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CCC\1=NC(=N/C1=C/C2=CC=CO2)N/N=C/C3=CC=CO3
InChI
InChI=1S/C15H14N4O2/c1-2-13-14(9-11-5-3-7-20-11)18-15(17-13)19-16-10-12-6-4-8-21-12/h3-10H,2H2,1H3,(H,18,19)/b14-9+,16-10+
InChIKey
OHCTVVNNYJXASH-IEPNIYFGSA-N
Compound name
(5E)-4-ethyl-5-(furan-2-ylmethylidene)-N-[(E)-furan-2-ylmethylideneamino]imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.11166 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.118936 162.5
[M+Na]+ 305.100878 171.7
[M-H]- 281.104384 173.8
[M+NH4]+ 300.145483 178.3
[M+K]+ 321.074818 170.2
[M+H-H2O]+ 265.108920 154.4
[M+HCOO]- 327.109861 191.4
[M+CH3COO]- 341.125511 176.2
[M+Na-2H]- 303.086326 166.4
[M]+ 282.11111142 168.0
[M]- 282.11220858 168.0
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.