CID 1380741

4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline

Structural Information

Molecular Formula
C15H13N3O2
SMILES
COC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)N
InChI
InChI=1S/C15H13N3O2/c1-19-13-8-4-11(5-9-13)15-18-17-14(20-15)10-2-6-12(16)7-3-10/h2-9H,16H2,1H3
InChIKey
DDDUQQYRWNLBCN-UHFFFAOYSA-N
Compound name
4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

267.10077 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 159.6
[M+Na]+ 290.08999 169.0
[M-H]- 266.09349 167.9
[M+NH4]+ 285.13459 173.2
[M+K]+ 306.06393 165.6
[M+H-H2O]+ 250.09803 150.1
[M+HCOO]- 312.09897 183.1
[M+CH3COO]- 326.11462 172.2
[M+Na-2H]- 288.07544 164.7
[M]+ 267.10022 161.2
[M]- 267.10132 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.