CID 5918309

Nsc686433

Structural Information

Molecular Formula
C19H16N4O
SMILES
C1=CC=C(C=C1)CN2C=C(N3C2=N/C(=C\C4=CC=CC=C4)/C3=O)N
InChI
InChI=1S/C19H16N4O/c20-17-13-22(12-15-9-5-2-6-10-15)19-21-16(18(24)23(17)19)11-14-7-3-1-4-8-14/h1-11,13H,12,20H2/b16-11-
InChIKey
QXAUSNHBKJVORY-WJDWOHSUSA-N
Compound name
(6Z)-3-amino-1-benzyl-6-benzylideneimidazo[1,2-a]imidazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13242 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13970 174.8
[M+Na]+ 339.12164 183.9
[M-H]- 315.12514 182.1
[M+NH4]+ 334.16624 189.1
[M+K]+ 355.09558 176.8
[M+H-H2O]+ 299.12968 164.8
[M+HCOO]- 361.13062 195.8
[M+CH3COO]- 375.14627 185.7
[M+Na-2H]- 337.10709 175.3
[M]+ 316.13187 173.5
[M]- 316.13297 173.5
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.