CID 6477542

Nsc686415

Structural Information

Molecular Formula
C20H20N4O3
SMILES
CN1C(=O)OC(=N1)/C(=C/C2=CC=C(C=C2)N(C)C)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H20N4O3/c1-23(2)16-11-9-14(10-12-16)13-17(19-22-24(3)20(26)27-19)21-18(25)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,21,25)/b17-13-
InChIKey
XKPDMGXQPGXNGX-LGMDPLHJSA-N
Compound name
N-[(Z)-2-[4-(dimethylamino)phenyl]-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.15353 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16081 187.8
[M+Na]+ 387.14275 194.2
[M-H]- 363.14625 197.6
[M+NH4]+ 382.18735 197.5
[M+K]+ 403.11669 191.5
[M+H-H2O]+ 347.15079 177.1
[M+HCOO]- 409.15173 210.4
[M+CH3COO]- 423.16738 222.5
[M+Na-2H]- 385.12820 189.0
[M]+ 364.15298 190.6
[M]- 364.15408 190.6
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.