CID 6481633

Chembl4467592

Structural Information

Molecular Formula
C23H28N6O
SMILES
CCN(CC)CCCN1C2=C(C=C(C=C2)C(=O)C)N=C1CN3N=C4C=CC=CC4=N3
InChI
InChI=1S/C23H28N6O/c1-4-27(5-2)13-8-14-28-22-12-11-18(17(3)30)15-21(22)24-23(28)16-29-25-19-9-6-7-10-20(19)26-29/h6-7,9-12,15H,4-5,8,13-14,16H2,1-3H3
InChIKey
ZWWLDRLZISFRSX-UHFFFAOYSA-N
Compound name
1-[2-(benzotriazol-2-ylmethyl)-1-[3-(diethylamino)propyl]benzimidazol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.23245 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.23973 201.5
[M+Na]+ 427.22167 210.8
[M-H]- 403.22517 206.1
[M+NH4]+ 422.26627 211.7
[M+K]+ 443.19561 204.6
[M+H-H2O]+ 387.22971 189.8
[M+HCOO]- 449.23065 220.6
[M+CH3COO]- 463.24630 210.6
[M+Na-2H]- 425.20712 202.4
[M]+ 404.23190 210.1
[M]- 404.23300 210.1
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

No patent data available for this compound.