CID 5272024

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

Structural Information

Molecular Formula
C21H17N5
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CN4C5=CC=CC=C5N=N4
InChI
InChI=1S/C21H17N5/c1-2-8-16(9-3-1)14-25-19-12-6-4-10-17(19)22-21(25)15-26-20-13-7-5-11-18(20)23-24-26/h1-13H,14-15H2
InChIKey
KKKNJYGFPMUDLF-UHFFFAOYSA-N
Compound name
1-[(1-benzylbenzimidazol-2-yl)methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

339.1484 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15568 180.3
[M+Na]+ 362.13762 192.2
[M-H]- 338.14112 186.7
[M+NH4]+ 357.18222 192.1
[M+K]+ 378.11156 183.6
[M+H-H2O]+ 322.14566 168.2
[M+HCOO]- 384.14660 200.3
[M+CH3COO]- 398.16225 191.0
[M+Na-2H]- 360.12307 185.4
[M]+ 339.14785 184.4
[M]- 339.14895 184.4
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.