CID 165941882

2-[5-(1h-pyrrol-1-yl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C13H14N4
SMILES
C1=CN(C=C1)C2=CC3=C(C=C2)N=C(N3)CCN
InChI
InChI=1S/C13H14N4/c14-6-5-13-15-11-4-3-10(9-12(11)16-13)17-7-1-2-8-17/h1-4,7-9H,5-6,14H2,(H,15,16)
InChIKey
OSLSWSLGRPGOCN-UHFFFAOYSA-N
Compound name
2-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.12184 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.129116 148.7
[M+Na]+ 249.111058 158.6
[M-H]- 225.114564 151.8
[M+NH4]+ 244.155663 166.4
[M+K]+ 265.084998 153.0
[M+H-H2O]+ 209.119100 140.2
[M+HCOO]- 271.120041 171.4
[M+CH3COO]- 285.135691 161.2
[M+Na-2H]- 247.096506 153.5
[M]+ 226.12129142 148.4
[M]- 226.12238858 148.4
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.