CID 6475565

Nsc686435

Structural Information

Molecular Formula
C13H14N4O3
SMILES
C1=COC(=C1)/C=C\2/C(=O)N3C(=CN(C3=N2)CCCO)N
InChI
InChI=1S/C13H14N4O3/c14-11-8-16(4-2-5-18)13-15-10(12(19)17(11)13)7-9-3-1-6-20-9/h1,3,6-8,18H,2,4-5,14H2/b10-7-
InChIKey
DZKBKLZBLACZNY-YFHOEESVSA-N
Compound name
(6Z)-3-amino-6-(furan-2-ylmethylidene)-1-(3-hydroxypropyl)imidazo[1,2-a]imidazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1066 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.113876 161.3
[M+Na]+ 297.095818 170.6
[M-H]- 273.099324 165.4
[M+NH4]+ 292.140423 177.5
[M+K]+ 313.069758 167.7
[M+H-H2O]+ 257.103860 154.3
[M+HCOO]- 319.104801 181.7
[M+CH3COO]- 333.120451 173.1
[M+Na-2H]- 295.081266 160.6
[M]+ 274.10605142 162.9
[M]- 274.10714858 162.9
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.