CID 9555949

Nsc661584

Structural Information

Molecular Formula
C18H14N8O2
SMILES
C1=CC=C(C=C1)/C=N/NC2=NN=C(O2)C3=NN=C(O3)N/N=C/C4=CC=CC=C4
InChI
InChI=1S/C18H14N8O2/c1-3-7-13(8-4-1)11-19-23-17-25-21-15(27-17)16-22-26-18(28-16)24-20-12-14-9-5-2-6-10-14/h1-12H,(H,23,25)(H,24,26)/b19-11+,20-12+
InChIKey
WPAZFWTYQLSNPT-AYKLPDECSA-N
Compound name
N-[(E)-benzylideneamino]-5-[5-[(2E)-2-benzylidenehydrazinyl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.12396 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13124 180.7
[M+Na]+ 397.11318 188.6
[M-H]- 373.11668 193.6
[M+NH4]+ 392.15778 187.4
[M+K]+ 413.08712 185.4
[M+H-H2O]+ 357.12122 168.0
[M+HCOO]- 419.12216 209.5
[M+CH3COO]- 433.13781 191.8
[M+Na-2H]- 395.09863 189.5
[M]+ 374.12341 185.2
[M]- 374.12451 185.2
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.