CID 485832

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

Structural Information

Molecular Formula
C15H19N5O
SMILES
CCCCNC1=NN=C(O1)CN2C(=NC3=CC=CC=C32)C
InChI
InChI=1S/C15H19N5O/c1-3-4-9-16-15-19-18-14(21-15)10-20-11(2)17-12-7-5-6-8-13(12)20/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKey
MKLAIXMVXJDQTO-UHFFFAOYSA-N
Compound name
N-butyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.15897 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16625 166.3
[M+Na]+ 308.14819 176.6
[M-H]- 284.15169 170.4
[M+NH4]+ 303.19279 180.1
[M+K]+ 324.12213 172.9
[M+H-H2O]+ 268.15623 156.6
[M+HCOO]- 330.15717 188.1
[M+CH3COO]- 344.17282 178.2
[M+Na-2H]- 306.13364 170.7
[M]+ 285.15842 172.1
[M]- 285.15952 172.1
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.