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

10
Patents

215.14224 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 149.4
[M+Na]+ 238.13146 157.3
[M-H]- 214.13496 151.4
[M+NH4]+ 233.17606 166.0
[M+K]+ 254.10540 152.0
[M+H-H2O]+ 198.13950 140.4
[M+HCOO]- 260.14044 166.3
[M+CH3COO]- 274.15609 160.6
[M+Na-2H]- 236.11691 154.1
[M]+ 215.14169 145.3
[M]- 215.14279 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