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]+ 272.150576 161.8
[M+Na]+ 294.132518 172.6
[M-H]- 270.136024 166.1
[M+NH4]+ 289.177123 176.2
[M+K]+ 310.106458 169.1
[M+H-H2O]+ 254.140560 152.3
[M+HCOO]- 316.141501 184.0
[M+CH3COO]- 330.157151 174.1
[M+Na-2H]- 292.117966 166.7
[M]+ 271.14275142 167.3
[M]- 271.14384858 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.