CID 3151733

1-methyl-2-(pyrrolidin-2-yl)-1h-1,3-benzodiazole dihydrochloride

Structural Information

Molecular Formula
C12H15N3
SMILES
CN1C2=CC=CC=C2N=C1C3CCCN3
InChI
InChI=1S/C12H15N3/c1-15-11-7-3-2-5-9(11)14-12(15)10-6-4-8-13-10/h2-3,5,7,10,13H,4,6,8H2,1H3
InChIKey
YIOLXYNYYMDFQD-UHFFFAOYSA-N
Compound name
1-methyl-2-pyrrolidin-2-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

201.1266 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 144.6
[M+Na]+ 224.11582 157.5
[M+NH4]+ 219.16042 153.3
[M+K]+ 240.08976 154.1
[M-H]- 200.11932 146.9
[M+Na-2H]- 222.10127 151.2
[M]+ 201.12605 147.0
[M]- 201.12715 147.0
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