CID 5272010

1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole

Structural Information

Molecular Formula
C18H19N5
SMILES
CCCCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C18H19N5/c1-2-3-12-22-16-10-6-4-8-14(16)19-18(22)13-23-17-11-7-5-9-15(17)20-21-23/h4-11H,2-3,12-13H2,1H3
InChIKey
FGAGCEMOZWSMBH-UHFFFAOYSA-N
Compound name
1-[(1-butylbenzimidazol-2-yl)methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

305.16403 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17131 173.3
[M+Na]+ 328.15325 185.5
[M-H]- 304.15675 176.6
[M+NH4]+ 323.19785 187.3
[M+K]+ 344.12719 178.3
[M+H-H2O]+ 288.16129 162.4
[M+HCOO]- 350.16223 193.4
[M+CH3COO]- 364.17788 184.6
[M+Na-2H]- 326.13870 178.1
[M]+ 305.16348 179.3
[M]- 305.16458 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe