CID 380438

Nsc665961

Structural Information

Molecular Formula
C18H18N4O5
SMILES
C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H18N4O5/c23-21(24)14-4-13(5-15(6-14)22(25)26)16-19-20-17(27-16)18-7-10-1-11(8-18)3-12(2-10)9-18/h4-6,10-12H,1-3,7-9H2
InChIKey
FFNUNXSIDBZWLJ-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

370.12772 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13500 167.8
[M+Na]+ 393.11694 166.5
[M-H]- 369.12044 167.5
[M+NH4]+ 388.16154 181.2
[M+K]+ 409.09088 157.4
[M+H-H2O]+ 353.12498 165.9
[M+HCOO]- 415.12592 174.7
[M+CH3COO]- 429.14157 212.2
[M+Na-2H]- 391.10239 181.6
[M]+ 370.12717 166.3
[M]- 370.12827 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.