CID 6447589

4h-imidazol-4-one, 3,5-dihydro-3-(2-methoxy-4-nitrophenyl)-2-methyl-5-(phenylmethylene)-

Structural Information

Molecular Formula
C18H15N3O4
SMILES
CC1=N/C(=C\C2=CC=CC=C2)/C(=O)N1C3=C(C=C(C=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C18H15N3O4/c1-12-19-15(10-13-6-4-3-5-7-13)18(22)20(12)16-9-8-14(21(23)24)11-17(16)25-2/h3-11H,1-2H3/b15-10-
InChIKey
BPZQYIGTDBXQCV-GDNBJRDFSA-N
Compound name
(5Z)-5-benzylidene-3-(2-methoxy-4-nitrophenyl)-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.10626 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.113536 178.6
[M+Na]+ 360.095478 186.3
[M-H]- 336.098984 186.7
[M+NH4]+ 355.140083 190.2
[M+K]+ 376.069418 177.3
[M+H-H2O]+ 320.103520 173.2
[M+HCOO]- 382.104461 201.2
[M+CH3COO]- 396.120111 204.5
[M+Na-2H]- 358.080926 181.7
[M]+ 337.10571142 178.4
[M]- 337.10680858 178.4
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.