CID 6481632

1h-benzimidazole-1-ethanamine, 2-(2h-1,2,3-benzotriazol-2-ylmethyl)-5-chloro-n,n-diethyl-

Structural Information

Molecular Formula
C20H23ClN6
SMILES
CCN(CC)CCN1C2=C(C=C(C=C2)Cl)N=C1CN3N=C4C=CC=CC4=N3
InChI
InChI=1S/C20H23ClN6/c1-3-25(4-2)11-12-26-19-10-9-15(21)13-18(19)22-20(26)14-27-23-16-7-5-6-8-17(16)24-27/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKey
VHFFKYHEJUZMPD-UHFFFAOYSA-N
Compound name
2-[2-(benzotriazol-2-ylmethyl)-5-chlorobenzimidazol-1-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.16727 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17455 192.9
[M+Na]+ 405.15649 204.6
[M-H]- 381.15999 197.2
[M+NH4]+ 400.20109 205.0
[M+K]+ 421.13043 197.0
[M+H-H2O]+ 365.16453 181.1
[M+HCOO]- 427.16547 208.8
[M+CH3COO]- 441.18112 203.0
[M+Na-2H]- 403.14194 195.4
[M]+ 382.16672 202.3
[M]- 382.16782 202.3
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.