CID 394053

Nsc697171

Structural Information

Molecular Formula
C24H26Cl2N6O2
SMILES
C1=CC(=CC=C1NC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)NC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H26Cl2N6O2/c25-17-9-13-19(14-10-17)27-23-31-29-21(33-23)7-5-3-1-2-4-6-8-22-30-32-24(34-22)28-20-15-11-18(26)12-16-20/h9-16H,1-8H2,(H,27,31)(H,28,32)
InChIKey
KYVCZCCWTQKSBB-UHFFFAOYSA-N
Compound name
5-[8-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]octyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.14944 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.15672 219.5
[M+Na]+ 523.13866 227.1
[M-H]- 499.14216 227.6
[M+NH4]+ 518.18326 222.2
[M+K]+ 539.11260 220.4
[M+H-H2O]+ 483.14670 206.3
[M+HCOO]- 545.14764 230.5
[M+CH3COO]- 559.16329 226.5
[M+Na-2H]- 521.12411 219.1
[M]+ 500.14889 228.8
[M]- 500.14999 228.8
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.