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]+ 402.25398 186.7
[M+Na]+ 424.23592 187.3
[M-H]- 400.23942 189.6
[M+NH4]+ 419.28052 201.7
[M+K]+ 440.20986 183.1
[M+H-H2O]+ 384.24396 173.2
[M+HCOO]- 446.24490 191.0
[M+CH3COO]- 460.26055 192.4
[M+Na-2H]- 422.22137 191.3
[M]+ 401.24615 186.5
[M]- 401.24725 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.