CID 15953923

5-[2-(benzhydrylideneamino)oxyethyl]-n-(4-bromophenyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C23H19BrN4O2
SMILES
C1=CC=C(C=C1)C(=NOCCC2=NN=C(O2)NC3=CC=C(C=C3)Br)C4=CC=CC=C4
InChI
InChI=1S/C23H19BrN4O2/c24-19-11-13-20(14-12-19)25-23-27-26-21(30-23)15-16-29-28-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,27)
InChIKey
FRXVXSYCVDXURO-UHFFFAOYSA-N
Compound name
5-[2-(benzhydrylideneamino)oxyethyl]-N-(4-bromophenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.06915 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.07643 201.0
[M+Na]+ 485.05837 208.4
[M-H]- 461.06187 214.4
[M+NH4]+ 480.10297 209.9
[M+K]+ 501.03231 197.0
[M+H-H2O]+ 445.06641 195.5
[M+HCOO]- 507.06735 222.2
[M+CH3COO]- 521.08300 211.5
[M+Na-2H]- 483.04382 206.2
[M]+ 462.06860 220.9
[M]- 462.06970 220.9
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.