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]+ 283.11894 162.5
[M+Na]+ 305.10088 171.7
[M-H]- 281.10438 173.8
[M+NH4]+ 300.14548 178.3
[M+K]+ 321.07482 170.2
[M+H-H2O]+ 265.10892 154.4
[M+HCOO]- 327.10986 191.4
[M+CH3COO]- 341.12551 176.2
[M+Na-2H]- 303.08633 166.4
[M]+ 282.11111 168.0
[M]- 282.11221 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.