CID 155973868

2-[6-(2h-1,2,3,4-tetrazol-5-yl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C10H11N7
SMILES
C1=CC2=C(C=C1C3=NNN=N3)NC(=N2)CCN
InChI
InChI=1S/C10H11N7/c11-4-3-9-12-7-2-1-6(5-8(7)13-9)10-14-16-17-15-10/h1-2,5H,3-4,11H2,(H,12,13)(H,14,15,16,17)
InChIKey
PWQDVOJBWPPJSA-UHFFFAOYSA-N
Compound name
2-[6-(2H-tetrazol-5-yl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.10759 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11487 148.9
[M+Na]+ 252.09681 159.8
[M-H]- 228.10031 147.4
[M+NH4]+ 247.14141 161.7
[M+K]+ 268.07075 153.5
[M+H-H2O]+ 212.10485 139.0
[M+HCOO]- 274.10579 167.0
[M+CH3COO]- 288.12144 159.7
[M+Na-2H]- 250.08226 154.5
[M]+ 229.10704 147.4
[M]- 229.10814 147.4
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.