CID 5271992

Chembl304576

Structural Information

Molecular Formula
C20H24N6
SMILES
CCN(CC)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C20H24N6/c1-3-24(4-2)13-14-25-18-11-7-5-9-16(18)21-20(25)15-26-19-12-8-6-10-17(19)22-23-26/h5-12H,3-4,13-15H2,1-2H3
InChIKey
DOPQBCXPOQSTLZ-UHFFFAOYSA-N
Compound name
2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.20624 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21352 184.8
[M+Na]+ 371.19546 195.1
[M-H]- 347.19896 189.3
[M+NH4]+ 366.24006 197.3
[M+K]+ 387.16940 188.8
[M+H-H2O]+ 331.20350 173.1
[M+HCOO]- 393.20444 205.7
[M+CH3COO]- 407.22009 195.2
[M+Na-2H]- 369.18091 188.9
[M]+ 348.20569 192.0
[M]- 348.20679 192.0
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.