CID 5271995

Chembl68195

Structural Information

Molecular Formula
C22H28N6
SMILES
CC(C)N(CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N=N3)C(C)C
InChI
InChI=1S/C22H28N6/c1-16(2)26(17(3)4)13-14-27-20-11-7-5-9-18(20)23-22(27)15-28-21-12-8-6-10-19(21)24-25-28/h5-12,16-17H,13-15H2,1-4H3
InChIKey
CLGWPHZEGZCLEO-UHFFFAOYSA-N
Compound name
N-[2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

376.23755 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.24483 194.1
[M+Na]+ 399.22677 202.6
[M-H]- 375.23027 198.6
[M+NH4]+ 394.27137 205.3
[M+K]+ 415.20071 197.1
[M+H-H2O]+ 359.23481 182.5
[M+HCOO]- 421.23575 212.3
[M+CH3COO]- 435.25140 203.4
[M+Na-2H]- 397.21222 195.2
[M]+ 376.23700 200.8
[M]- 376.23810 200.8
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.