CID 384700

Nsc674936

Structural Information

Molecular Formula
C24H24FN3O3
SMILES
C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6F
InChI
InChI=1S/C24H24FN3O3/c25-21-4-2-1-3-20(21)23-27(24-12-15-9-16(13-24)11-17(10-15)14-24)22(26-31-23)18-5-7-19(8-6-18)28(29)30/h1-8,15-17,23H,9-14H2
InChIKey
BJDPKCDJTKPBIA-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-5-(2-fluorophenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.18018 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.18746 184.3
[M+Na]+ 444.16940 184.4
[M-H]- 420.17290 185.3
[M+NH4]+ 439.21400 197.0
[M+K]+ 460.14334 176.2
[M+H-H2O]+ 404.17744 174.8
[M+HCOO]- 466.17838 187.5
[M+CH3COO]- 480.19403 227.0
[M+Na-2H]- 442.15485 191.6
[M]+ 421.17963 181.5
[M]- 421.18073 181.5
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.