CID 378753

Nsc661909

Structural Information

Molecular Formula
C26H31N3O
SMILES
CN(C)C1=CC=C(C=C1)C2N(C(=NO2)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C26H31N3O/c1-28(2)23-10-8-22(9-11-23)25-29(24(27-30-25)21-6-4-3-5-7-21)26-15-18-12-19(16-26)14-20(13-18)17-26/h3-11,18-20,25H,12-17H2,1-2H3
InChIKey
NQVSALXMASODGJ-UHFFFAOYSA-N
Compound name
4-[4-(1-adamantyl)-3-phenyl-5H-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.2467 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.253976 186.7
[M+Na]+ 424.235918 187.3
[M-H]- 400.239424 189.6
[M+NH4]+ 419.280523 201.7
[M+K]+ 440.209858 183.1
[M+H-H2O]+ 384.243960 173.2
[M+HCOO]- 446.244901 191.0
[M+CH3COO]- 460.260551 192.4
[M+Na-2H]- 422.221366 191.3
[M]+ 401.24615142 186.5
[M]- 401.24724858 186.5
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.