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]+ 275.11388 161.3
[M+Na]+ 297.09582 170.6
[M-H]- 273.09932 165.4
[M+NH4]+ 292.14042 177.5
[M+K]+ 313.06976 167.7
[M+H-H2O]+ 257.10386 154.3
[M+HCOO]- 319.10480 181.7
[M+CH3COO]- 333.12045 173.1
[M+Na-2H]- 295.08127 160.6
[M]+ 274.10605 162.9
[M]- 274.10715 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.