CID 165753034

2-{1-[2-(1h-1,2,3,4-tetrazol-1-yl)ethyl]-1h-1,3-benzodiazol-2-yl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C12H15N7
SMILES
C1=CC=C2C(=C1)N=C(N2CCN3C=NN=N3)CCN
InChI
InChI=1S/C12H15N7/c13-6-5-12-15-10-3-1-2-4-11(10)19(12)8-7-18-9-14-16-17-18/h1-4,9H,5-8,13H2
InChIKey
MKWODWVAEQHQPB-UHFFFAOYSA-N
Compound name
2-[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1389 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14618 157.1
[M+Na]+ 280.12812 167.8
[M-H]- 256.13162 157.7
[M+NH4]+ 275.17272 170.0
[M+K]+ 296.10206 162.7
[M+H-H2O]+ 240.13616 146.1
[M+HCOO]- 302.13710 177.3
[M+CH3COO]- 316.15275 168.2
[M+Na-2H]- 278.11357 162.3
[M]+ 257.13835 159.6
[M]- 257.13945 159.6
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

No patent data available for this compound.