CID 485838

5-[(2-methylbenzimidazol-1-yl)methyl]-n-phenyl-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C17H15N5O
SMILES
CC1=NC2=CC=CC=C2N1CC3=NN=C(O3)NC4=CC=CC=C4
InChI
InChI=1S/C17H15N5O/c1-12-18-14-9-5-6-10-15(14)22(12)11-16-20-21-17(23-16)19-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,21)
InChIKey
KPYUKRQPXSZMJJ-UHFFFAOYSA-N
Compound name
5-[(2-methylbenzimidazol-1-yl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.12766 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.134936 168.3
[M+Na]+ 328.116878 179.0
[M-H]- 304.120384 175.9
[M+NH4]+ 323.161483 180.6
[M+K]+ 344.090818 174.0
[M+H-H2O]+ 288.124920 157.8
[M+HCOO]- 350.125861 190.6
[M+CH3COO]- 364.141511 180.2
[M+Na-2H]- 326.102326 173.6
[M]+ 305.12711142 172.2
[M]- 305.12820858 172.2
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.