CID 6481622

Qeebvpwjqdwwpd-uhfffaoysa-n

Structural Information

Molecular Formula
C16H14N8
SMILES
C1=CC=C2C(=C1)N=C(N2CCN=[N+]=[N-])CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C16H14N8/c17-21-18-9-10-23-14-7-3-1-5-12(14)19-16(23)11-24-15-8-4-2-6-13(15)20-22-24/h1-8H,9-11H2
InChIKey
QEEBVPWJQDWWPD-UHFFFAOYSA-N
Compound name
1-[[1-(2-azidoethyl)benzimidazol-2-yl]methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

318.13416 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14144 169.0
[M+Na]+ 341.12338 179.3
[M-H]- 317.12688 175.4
[M+NH4]+ 336.16798 182.1
[M+K]+ 357.09732 168.6
[M+H-H2O]+ 301.13142 161.4
[M+HCOO]- 363.13236 196.3
[M+CH3COO]- 377.14801 210.4
[M+Na-2H]- 339.10883 181.3
[M]+ 318.13361 171.8
[M]- 318.13471 171.8
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

patents stripe