CID 15954314

(1e)-1-phenylethanone o-({5-[(4-bromophenyl)amino]-1,3,4-oxadiazol-2-yl}methyl)oxime

Structural Information

Molecular Formula
C17H15BrN4O2
SMILES
C/C(=N\OCC1=NN=C(O1)NC2=CC=C(C=C2)Br)/C3=CC=CC=C3
InChI
InChI=1S/C17H15BrN4O2/c1-12(13-5-3-2-4-6-13)22-23-11-16-20-21-17(24-16)19-15-9-7-14(18)8-10-15/h2-10H,11H2,1H3,(H,19,21)/b22-12+
InChIKey
DVYPKZPAOMMBJA-WSDLNYQXSA-N
Compound name
N-(4-bromophenyl)-5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.03784 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.04512 180.2
[M+Na]+ 409.02706 189.5
[M-H]- 385.03056 191.5
[M+NH4]+ 404.07166 193.0
[M+K]+ 425.00100 178.9
[M+H-H2O]+ 369.03510 175.9
[M+HCOO]- 431.03604 202.6
[M+CH3COO]- 445.05169 192.7
[M+Na-2H]- 407.01251 186.6
[M]+ 386.03729 201.1
[M]- 386.03839 201.1
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.