CID 15954315

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

Structural Information

Molecular Formula
C18H17BrN4O2
SMILES
C/C(=N\OCCC1=NN=C(O1)NC2=CC=C(C=C2)Br)/C3=CC=CC=C3
InChI
InChI=1S/C18H17BrN4O2/c1-13(14-5-3-2-4-6-14)23-24-12-11-17-21-22-18(25-17)20-16-9-7-15(19)8-10-16/h2-10H,11-12H2,1H3,(H,20,22)/b23-13+
InChIKey
TVMPPIWDOAFHRT-YDZHTSKRSA-N
Compound name
N-(4-bromophenyl)-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.0535 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.06078 184.7
[M+Na]+ 423.04272 193.5
[M-H]- 399.04622 195.8
[M+NH4]+ 418.08732 196.9
[M+K]+ 439.01666 182.7
[M+H-H2O]+ 383.05076 180.1
[M+HCOO]- 445.05170 206.7
[M+CH3COO]- 459.06735 220.9
[M+Na-2H]- 421.02817 190.5
[M]+ 400.05295 205.8
[M]- 400.05405 205.8
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.