CID 3151734

1-methyl-2-(piperidin-2-yl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C13H17N3
SMILES
CN1C2=CC=CC=C2N=C1C3CCCCN3
InChI
InChI=1S/C13H17N3/c1-16-12-8-3-2-6-10(12)15-13(16)11-7-4-5-9-14-11/h2-3,6,8,11,14H,4-5,7,9H2,1H3
InChIKey
OEHJWAIIVLBHJS-UHFFFAOYSA-N
Compound name
1-methyl-2-piperidin-2-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

215.14224 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 149.4
[M+Na]+ 238.131458 157.3
[M-H]- 214.134964 151.4
[M+NH4]+ 233.176063 166.0
[M+K]+ 254.105398 152.0
[M+H-H2O]+ 198.139500 140.4
[M+HCOO]- 260.140441 166.3
[M+CH3COO]- 274.156091 160.6
[M+Na-2H]- 236.116906 154.1
[M]+ 215.14169142 145.3
[M]- 215.14278858 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe