CID 3086792

Brn 5576900

Structural Information

Molecular Formula
C16H15N3O2
SMILES
CN(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3O
InChI
InChI=1S/C16H15N3O2/c1-19(2)12-9-7-11(8-10-12)15-17-18-16(21-15)13-5-3-4-6-14(13)20/h3-10,20H,1-2H3
InChIKey
IEAVALFYMJGXMA-UHFFFAOYSA-N
Compound name
2-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 164.5
[M+Na]+ 304.10564 179.5
[M+NH4]+ 299.15024 172.2
[M+K]+ 320.07958 174.9
[M-H]- 280.10914 171.4
[M+Na-2H]- 302.09109 174.3
[M]+ 281.11587 168.7
[M]- 281.11697 168.7
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.