CID 29650

1,3,4-oxadiazole, 2,5-bis(o-aminophenyl)-

Structural Information

Molecular Formula
C14H12N4O
SMILES
C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=CC=C3N)N
InChI
InChI=1S/C14H12N4O/c15-11-7-3-1-5-9(11)13-17-18-14(19-13)10-6-2-4-8-12(10)16/h1-8H,15-16H2
InChIKey
WEQLMOBWMDHBIA-UHFFFAOYSA-N
Compound name
2-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

252.1011 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10838 156.0
[M+Na]+ 275.09032 165.2
[M-H]- 251.09382 164.0
[M+NH4]+ 270.13492 169.7
[M+K]+ 291.06426 160.9
[M+H-H2O]+ 235.09836 146.6
[M+HCOO]- 297.09930 180.0
[M+CH3COO]- 311.11495 168.4
[M+Na-2H]- 273.07577 161.3
[M]+ 252.10055 154.4
[M]- 252.10165 154.4
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

patents stripe