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

literature stripe

Patent stripe

patents stripe