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

0
Patents

226.12184 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12912 148.7
[M+Na]+ 249.11106 158.6
[M-H]- 225.11456 151.8
[M+NH4]+ 244.15566 166.4
[M+K]+ 265.08500 153.0
[M+H-H2O]+ 209.11910 140.2
[M+HCOO]- 271.12004 171.4
[M+CH3COO]- 285.13569 161.2
[M+Na-2H]- 247.09651 153.5
[M]+ 226.12129 148.4
[M]- 226.12239 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.