CID 394069

Nsc697187

Structural Information

Molecular Formula
C24H26N4O2
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)CCCCCCCCC3=NN=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C24H26N4O2/c1(3-11-17-21-25-27-23(29-21)19-13-7-5-8-14-19)2-4-12-18-22-26-28-24(30-22)20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2
InChIKey
RONYCJKHCIGODV-UHFFFAOYSA-N
Compound name
2-phenyl-5-[8-(5-phenyl-1,3,4-oxadiazol-2-yl)octyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.20557 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.21285 196.2
[M+Na]+ 425.19479 203.5
[M-H]- 401.19829 204.8
[M+NH4]+ 420.23939 201.6
[M+K]+ 441.16873 198.8
[M+H-H2O]+ 385.20283 183.9
[M+HCOO]- 447.20377 215.4
[M+CH3COO]- 461.21942 205.3
[M+Na-2H]- 423.18024 197.2
[M]+ 402.20502 202.6
[M]- 402.20612 202.6
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.