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]+ 306.13494 168.3
[M+Na]+ 328.11688 179.0
[M-H]- 304.12038 175.9
[M+NH4]+ 323.16148 180.6
[M+K]+ 344.09082 174.0
[M+H-H2O]+ 288.12492 157.8
[M+HCOO]- 350.12586 190.6
[M+CH3COO]- 364.14151 180.2
[M+Na-2H]- 326.10233 173.6
[M]+ 305.12711 172.2
[M]- 305.12821 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.