CID 394070

Nsc697188

Structural Information

Molecular Formula
C26H30N4O4
SMILES
COC1=CC=C(C=C1)C2=NN=C(O2)CCCCCCCCC3=NN=C(O3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C26H30N4O4/c1-31-21-15-11-19(12-16-21)25-29-27-23(33-25)9-7-5-3-4-6-8-10-24-28-30-26(34-24)20-13-17-22(32-2)18-14-20/h11-18H,3-10H2,1-2H3
InChIKey
JROJAGQYCFTTDW-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-5-[8-[5-(4-methoxyphenyl)-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

462.2267 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.23398 211.8
[M+Na]+ 485.21592 219.4
[M-H]- 461.21942 221.2
[M+NH4]+ 480.26052 215.2
[M+K]+ 501.18986 215.7
[M+H-H2O]+ 445.22396 199.5
[M+HCOO]- 507.22490 230.7
[M+CH3COO]- 521.24055 220.4
[M+Na-2H]- 483.20137 210.6
[M]+ 462.22615 222.3
[M]- 462.22725 222.3
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.