CID 63636171

2-{1-[2-(propan-2-yloxy)ethyl]-1h-1,3-benzodiazol-2-yl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C14H21N3O
SMILES
CC(C)OCCN1C2=CC=CC=C2N=C1CCN
InChI
InChI=1S/C14H21N3O/c1-11(2)18-10-9-17-13-6-4-3-5-12(13)16-14(17)7-8-15/h3-6,11H,7-10,15H2,1-2H3
InChIKey
SLFIQIVGPOGAAH-UHFFFAOYSA-N
Compound name
2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

247.16846 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.175736 158.8
[M+Na]+ 270.157678 167.0
[M-H]- 246.161184 160.4
[M+NH4]+ 265.202283 176.2
[M+K]+ 286.131618 163.4
[M+H-H2O]+ 230.165720 150.7
[M+HCOO]- 292.166661 180.8
[M+CH3COO]- 306.182311 198.2
[M+Na-2H]- 268.143126 162.7
[M]+ 247.16791142 162.3
[M]- 247.16900858 162.3
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

No patent data available for this compound.