CID 23146282

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

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CC(NC1)CN2C=NC3=CC=CC=C32
InChI
InChI=1S/C12H15N3/c1-2-6-12-11(5-1)14-9-15(12)8-10-4-3-7-13-10/h1-2,5-6,9-10,13H,3-4,7-8H2
InChIKey
YYMMLBJLAJXWNW-UHFFFAOYSA-N
Compound name
1-(pyrrolidin-2-ylmethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

201.1266 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 144.1
[M+Na]+ 224.11582 152.3
[M-H]- 200.11932 146.5
[M+NH4]+ 219.16042 162.9
[M+K]+ 240.08976 147.8
[M+H-H2O]+ 184.12386 135.5
[M+HCOO]- 246.12480 163.7
[M+CH3COO]- 260.14045 156.2
[M+Na-2H]- 222.10127 148.1
[M]+ 201.12605 141.6
[M]- 201.12715 141.6
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