CID 21376

Brn 1051952

Structural Information

Molecular Formula
C16H12N4O7
SMILES
COC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC(=C(C=C3)OC)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C16H12N4O7/c1-25-13-5-3-9(7-11(13)19(21)22)15-17-18-16(27-15)10-4-6-14(26-2)12(8-10)20(23)24/h3-8H,1-2H3
InChIKey
ZCKUCNRDDRIABG-UHFFFAOYSA-N
Compound name
2,5-bis(4-methoxy-3-nitrophenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.0706 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07788 184.3
[M+Na]+ 395.05982 189.8
[M-H]- 371.06332 193.2
[M+NH4]+ 390.10442 191.3
[M+K]+ 411.03376 180.1
[M+H-H2O]+ 355.06786 182.4
[M+HCOO]- 417.06880 207.4
[M+CH3COO]- 431.08445 205.5
[M+Na-2H]- 393.04527 192.5
[M]+ 372.07005 185.7
[M]- 372.07115 185.7
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.