CID 6447595

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

Structural Information

Molecular Formula
C20H20N4O4
SMILES
CC1=N/C(=C\C2=CC=C(C=C2)N(C)C)/C(=O)N1C3=C(C=C(C=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C20H20N4O4/c1-13-21-17(11-14-5-7-15(8-6-14)22(2)3)20(25)23(13)18-10-9-16(24(26)27)12-19(18)28-4/h5-12H,1-4H3/b17-11-
InChIKey
CAFWIOQEPSRHMU-BOPFTXTBSA-N
Compound name
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2-methoxy-4-nitrophenyl)-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.14847 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.155746 190.3
[M+Na]+ 403.137688 197.0
[M-H]- 379.141194 199.8
[M+NH4]+ 398.182293 200.6
[M+K]+ 419.111628 189.0
[M+H-H2O]+ 363.145730 184.4
[M+HCOO]- 425.146671 213.6
[M+CH3COO]- 439.162321 219.8
[M+Na-2H]- 401.123136 191.9
[M]+ 380.14792142 191.7
[M]- 380.14901858 191.7
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.