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]+ 381.15575 190.3
[M+Na]+ 403.13769 197.0
[M-H]- 379.14119 199.8
[M+NH4]+ 398.18229 200.6
[M+K]+ 419.11163 189.0
[M+H-H2O]+ 363.14573 184.4
[M+HCOO]- 425.14667 213.6
[M+CH3COO]- 439.16232 219.8
[M+Na-2H]- 401.12314 191.9
[M]+ 380.14792 191.7
[M]- 380.14902 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.