CID 74301

2,5-bis(4-diethylaminophenyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C22H28N4O
SMILES
CCN(CC)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)N(CC)CC
InChI
InChI=1S/C22H28N4O/c1-5-25(6-2)19-13-9-17(10-14-19)21-23-24-22(27-21)18-11-15-20(16-12-18)26(7-3)8-4/h9-16H,5-8H2,1-4H3
InChIKey
UZGVMZRBRRYLIP-UHFFFAOYSA-N
Compound name
4-[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2970
Patents

364.22632 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.23360 193.0
[M+Na]+ 387.21554 198.5
[M-H]- 363.21904 203.3
[M+NH4]+ 382.26014 203.6
[M+K]+ 403.18948 196.0
[M+H-H2O]+ 347.22358 181.3
[M+HCOO]- 409.22452 216.3
[M+CH3COO]- 423.24017 228.8
[M+Na-2H]- 385.20099 194.3
[M]+ 364.22577 198.2
[M]- 364.22687 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe