CID 15954313

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

Structural Information

Molecular Formula
C22H17BrN4O2
SMILES
C1=CC=C(C=C1)C(=NOCC2=NN=C(O2)NC3=CC=C(C=C3)Br)C4=CC=CC=C4
InChI
InChI=1S/C22H17BrN4O2/c23-18-11-13-19(14-12-18)24-22-26-25-20(29-22)15-28-27-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,15H2,(H,24,26)
InChIKey
ORHROJPSHCGITG-UHFFFAOYSA-N
Compound name
5-[(benzhydrylideneamino)oxymethyl]-N-(4-bromophenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.0535 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.06078 196.6
[M+Na]+ 471.04272 204.5
[M-H]- 447.04622 210.2
[M+NH4]+ 466.08732 206.2
[M+K]+ 487.01666 193.3
[M+H-H2O]+ 431.05076 191.4
[M+HCOO]- 493.05170 218.2
[M+CH3COO]- 507.06735 207.7
[M+Na-2H]- 469.02817 202.4
[M]+ 448.05295 216.3
[M]- 448.05405 216.3
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.