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

7
Patents

201.1266 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 144.6
[M+Na]+ 224.115818 153.8
[M-H]- 200.119324 147.5
[M+NH4]+ 219.160423 163.8
[M+K]+ 240.089758 149.2
[M+H-H2O]+ 184.123860 136.4
[M+HCOO]- 246.124801 164.2
[M+CH3COO]- 260.140451 157.1
[M+Na-2H]- 222.101266 147.9
[M]+ 201.12605142 142.6
[M]- 201.12714858 142.6
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