CID 473228

(5e)-1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-2-methyl-5-[(2-nitrophenyl)methylene]imidazol-4-one

Structural Information

Molecular Formula
C21H21N3O4
SMILES
CC1=CC(=C(C=C1N2C(=NC(=O)C2=CC3=CC=CC=C3[N+](=O)[O-])C)C(C)C)O
InChI
InChI=1S/C21H21N3O4/c1-12(2)16-11-18(13(3)9-20(16)25)23-14(4)22-21(26)19(23)10-15-7-5-6-8-17(15)24(27)28/h5-12,25H,1-4H3
InChIKey
RZEBNIMFWQDYNA-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methyl-5-[(2-nitrophenyl)methylidene]imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1532 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16048 191.1
[M+Na]+ 402.14242 198.4
[M-H]- 378.14592 198.2
[M+NH4]+ 397.18702 200.8
[M+K]+ 418.11636 188.6
[M+H-H2O]+ 362.15046 186.3
[M+HCOO]- 424.15140 210.1
[M+CH3COO]- 438.16705 214.1
[M+Na-2H]- 400.12787 190.1
[M]+ 379.15265 190.4
[M]- 379.15375 190.4
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.