CID 378751

Nsc661907

Structural Information

Molecular Formula
C25H28N2O2
SMILES
COC1=CC=CC(=C1)C2N(C(=NO2)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C25H28N2O2/c1-28-22-9-5-8-21(13-22)24-27(23(26-29-24)20-6-3-2-4-7-20)25-14-17-10-18(15-25)12-19(11-17)16-25/h2-9,13,17-19,24H,10-12,14-16H2,1H3
InChIKey
GWAVUFDOGHKOND-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-5-(3-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.2151 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.22238 183.0
[M+Na]+ 411.20432 184.8
[M-H]- 387.20782 185.2
[M+NH4]+ 406.24892 198.2
[M+K]+ 427.17826 180.0
[M+H-H2O]+ 371.21236 169.8
[M+HCOO]- 433.21330 186.5
[M+CH3COO]- 447.22895 189.1
[M+Na-2H]- 409.18977 188.1
[M]+ 388.21455 183.4
[M]- 388.21565 183.4
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.