CID 394052

Nsc697170

Structural Information

Molecular Formula
C24H28N6O2
SMILES
C1=CC=C(C=C1)NC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)NC4=CC=CC=C4
InChI
InChI=1S/C24H28N6O2/c1(3-11-17-21-27-29-23(31-21)25-19-13-7-5-8-14-19)2-4-12-18-22-28-30-24(32-22)26-20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2,(H,25,29)(H,26,30)
InChIKey
KOLVFVFSNLNQRA-UHFFFAOYSA-N
Compound name
5-[8-(5-anilino-1,3,4-oxadiazol-2-yl)octyl]-N-phenyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2274 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.23468 200.2
[M+Na]+ 455.21662 205.5
[M-H]- 431.22012 209.1
[M+NH4]+ 450.26122 203.8
[M+K]+ 471.19056 200.7
[M+H-H2O]+ 415.22466 187.3
[M+HCOO]- 477.22560 221.6
[M+CH3COO]- 491.24125 208.4
[M+Na-2H]- 453.20207 203.5
[M]+ 432.22685 205.6
[M]- 432.22795 205.6
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.