CID 6481606

Chembl4560805

Structural Information

Molecular Formula
C22H26N6O
SMILES
CCN(CC)CCN1C2=C(C=C(C=C2)C(=O)C)N=C1CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C22H26N6O/c1-4-26(5-2)12-13-27-20-11-10-17(16(3)29)14-19(20)23-22(27)15-28-21-9-7-6-8-18(21)24-25-28/h6-11,14H,4-5,12-13,15H2,1-3H3
InChIKey
CSUDVXDXBMREDO-UHFFFAOYSA-N
Compound name
1-[2-(benzotriazol-1-ylmethyl)-1-[2-(diethylamino)ethyl]benzimidazol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.2168 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22408 197.1
[M+Na]+ 413.20602 207.0
[M-H]- 389.20952 201.9
[M+NH4]+ 408.25062 207.9
[M+K]+ 429.17996 200.9
[M+H-H2O]+ 373.21406 185.7
[M+HCOO]- 435.21500 216.6
[M+CH3COO]- 449.23065 206.7
[M+Na-2H]- 411.19147 198.5
[M]+ 390.21625 205.4
[M]- 390.21735 205.4
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.