CID 384698

Nsc674934

Structural Information

Molecular Formula
C26H30N2O3
SMILES
COC1=C(C(=CC=C1)OC)C2N(C(=NO2)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C26H30N2O3/c1-29-21-9-6-10-22(30-2)23(21)25-28(24(27-31-25)20-7-4-3-5-8-20)26-14-17-11-18(15-26)13-19(12-17)16-26/h3-10,17-19,25H,11-16H2,1-2H3
InChIKey
JNKXQNREVLZZMV-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-5-(2,6-dimethoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.22565 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.23293 191.7
[M+Na]+ 441.21487 193.4
[M-H]- 417.21837 193.9
[M+NH4]+ 436.25947 205.8
[M+K]+ 457.18881 189.4
[M+H-H2O]+ 401.22291 178.4
[M+HCOO]- 463.22385 194.7
[M+CH3COO]- 477.23950 197.3
[M+Na-2H]- 439.20032 195.9
[M]+ 418.22510 194.0
[M]- 418.22620 194.0
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.