CID 5757786

296801-16-6

Structural Information

Molecular Formula
C20H18N4O5
SMILES
CN(C)C1=C(C=C(C=C1)/C=C\2/C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H18N4O5/c1-22(2)16-9-8-14(11-17(16)24(28)29)10-15-18(25)21-20(27)23(19(15)26)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,25,27)/b15-10-
InChIKey
KQPAZRGNAIXQOA-GDNBJRDFSA-N
Compound name
(5Z)-1-benzyl-5-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.12772 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13500 189.8
[M+Na]+ 417.11694 202.7
[M+NH4]+ 412.16154 193.9
[M+K]+ 433.09088 199.7
[M-H]- 393.12044 194.6
[M+Na-2H]- 415.10239 195.6
[M]+ 394.12717 192.5
[M]- 394.12827 192.5
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.