CID 5918307

Nsc686431

Structural Information

Molecular Formula
C20H18N4O2
SMILES
COC1=CC=C(C=C1)/C=C\2/C(=O)N3C(=CN(C3=N2)CC4=CC=CC=C4)N
InChI
InChI=1S/C20H18N4O2/c1-26-16-9-7-14(8-10-16)11-17-19(25)24-18(21)13-23(20(24)22-17)12-15-5-3-2-4-6-15/h2-11,13H,12,21H2,1H3/b17-11-
InChIKey
FPQWKYGXKXAEBA-BOPFTXTBSA-N
Compound name
(6Z)-3-amino-1-benzyl-6-[(4-methoxyphenyl)methylidene]imidazo[1,2-a]imidazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.14297 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15025 182.6
[M+Na]+ 369.13219 192.0
[M-H]- 345.13569 190.2
[M+NH4]+ 364.17679 195.9
[M+K]+ 385.10613 185.3
[M+H-H2O]+ 329.14023 172.7
[M+HCOO]- 391.14117 203.4
[M+CH3COO]- 405.15682 193.2
[M+Na-2H]- 367.11764 182.1
[M]+ 346.14242 183.5
[M]- 346.14352 183.5
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.