CID 5918308

Nsc686432

Structural Information

Molecular Formula
C17H14N4O2
SMILES
C1=CC=C(C=C1)CN2C=C(N3C2=N/C(=C\C4=CC=CO4)/C3=O)N
InChI
InChI=1S/C17H14N4O2/c18-15-11-20(10-12-5-2-1-3-6-12)17-19-14(16(22)21(15)17)9-13-7-4-8-23-13/h1-9,11H,10,18H2/b14-9-
InChIKey
WFEULCXHACBZTL-ZROIWOOFSA-N
Compound name
(6Z)-3-amino-1-benzyl-6-(furan-2-ylmethylidene)imidazo[1,2-a]imidazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.11166 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11894 169.2
[M+Na]+ 329.10088 179.0
[M-H]- 305.10438 178.0
[M+NH4]+ 324.14548 184.6
[M+K]+ 345.07482 174.7
[M+H-H2O]+ 289.10892 161.1
[M+HCOO]- 351.10986 191.1
[M+CH3COO]- 365.12551 181.3
[M+Na-2H]- 327.08633 168.5
[M]+ 306.11111 170.4
[M]- 306.11221 170.4
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.