CID 378749

Nsc661905

Structural Information

Molecular Formula
C25H28N2O
SMILES
CC1=CC(=CC=C1)C2N(C(=NO2)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C25H28N2O/c1-17-6-5-9-22(10-17)24-27(23(26-28-24)21-7-3-2-4-8-21)25-14-18-11-19(15-25)13-20(12-18)16-25/h2-10,18-20,24H,11-16H2,1H3
InChIKey
YHZHYDLGNCDZCG-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-5-(3-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.22015 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.22743 180.7
[M+Na]+ 395.20937 182.7
[M-H]- 371.21287 182.9
[M+NH4]+ 390.25397 196.6
[M+K]+ 411.18331 177.1
[M+H-H2O]+ 355.21741 167.4
[M+HCOO]- 417.21835 184.1
[M+CH3COO]- 431.23400 186.9
[M+Na-2H]- 393.19482 185.4
[M]+ 372.21960 179.6
[M]- 372.22070 179.6
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.