CID 75505

4,4'-(1,3,4-oxadiazole-2,5-diyl)dianiline

Structural Information

Molecular Formula
C14H12N4O
SMILES
C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)N)N
InChI
InChI=1S/C14H12N4O/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10/h1-8H,15-16H2
InChIKey
MJZXFMSIHMJQBW-UHFFFAOYSA-N
Compound name
4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

830
Patents

252.1011 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.108376 156.0
[M+Na]+ 275.090318 165.2
[M-H]- 251.093824 164.0
[M+NH4]+ 270.134923 169.7
[M+K]+ 291.064258 160.9
[M+H-H2O]+ 235.098360 146.6
[M+HCOO]- 297.099301 180.0
[M+CH3COO]- 311.114951 168.4
[M+Na-2H]- 273.075766 161.3
[M]+ 252.10055142 154.4
[M]- 252.10164858 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