CID 485840

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

Structural Information

Molecular Formula
C14H17N5O
SMILES
CCCNC1=NN=C(O1)CN2C(=NC3=CC=CC=C32)C
InChI
InChI=1S/C14H17N5O/c1-3-8-15-14-18-17-13(20-14)9-19-10(2)16-11-6-4-5-7-12(11)19/h4-7H,3,8-9H2,1-2H3,(H,15,18)
InChIKey
ZJUCHULGQYKGCE-UHFFFAOYSA-N
Compound name
5-[(2-methylbenzimidazol-1-yl)methyl]-N-propyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.1433 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.15058 161.8
[M+Na]+ 294.13252 172.6
[M-H]- 270.13602 166.1
[M+NH4]+ 289.17712 176.2
[M+K]+ 310.10646 169.1
[M+H-H2O]+ 254.14056 152.3
[M+HCOO]- 316.14150 184.0
[M+CH3COO]- 330.15715 174.1
[M+Na-2H]- 292.11797 166.7
[M]+ 271.14275 167.3
[M]- 271.14385 167.3
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.