CID 394054

Nsc697172

Structural Information

Molecular Formula
C26H32N6O4
SMILES
COC1=CC=C(C=C1)NC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)NC4=CC=C(C=C4)OC
InChI
InChI=1S/C26H32N6O4/c1-33-21-15-11-19(12-16-21)27-25-31-29-23(35-25)9-7-5-3-4-6-8-10-24-30-32-26(36-24)28-20-13-17-22(34-2)18-14-20/h11-18H,3-10H2,1-2H3,(H,27,31)(H,28,32)
InChIKey
OSQBFHMCMRDQSN-UHFFFAOYSA-N
Compound name
5-[8-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]octyl]-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.2485 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.25578 216.3
[M+Na]+ 515.23772 221.7
[M-H]- 491.24122 225.8
[M+NH4]+ 510.28232 217.7
[M+K]+ 531.21166 218.1
[M+H-H2O]+ 475.24576 203.3
[M+HCOO]- 537.24670 237.2
[M+CH3COO]- 551.26235 242.5
[M+Na-2H]- 513.22317 217.3
[M]+ 492.24795 225.6
[M]- 492.24905 225.6
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.