CID 6447591

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

Structural Information

Molecular Formula
C19H17N3O4
SMILES
CC1=CC(=CC=C1)/C=C\2/C(=O)N(C(=N2)C)C3=C(C=C(C=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C19H17N3O4/c1-12-5-4-6-14(9-12)10-16-19(23)21(13(2)20-16)17-8-7-15(22(24)25)11-18(17)26-3/h4-11H,1-3H3/b16-10-
InChIKey
BJHQZYBKIJQSSC-YBEGLDIGSA-N
Compound name
(5Z)-3-(2-methoxy-4-nitrophenyl)-2-methyl-5-[(3-methylphenyl)methylidene]imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.12192 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.12920 183.2
[M+Na]+ 374.11114 191.3
[M-H]- 350.11464 191.5
[M+NH4]+ 369.15574 194.5
[M+K]+ 390.08508 182.1
[M+H-H2O]+ 334.11918 177.9
[M+HCOO]- 396.12012 205.4
[M+CH3COO]- 410.13577 208.7
[M+Na-2H]- 372.09659 185.1
[M]+ 351.12137 183.7
[M]- 351.12247 183.7
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.