CID 455387

Chembl6692

Structural Information

Molecular Formula
C19H22N6O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C19H22N6O/c1-2-20-16-8-5-9-21-18(16)24-10-12-25(13-11-24)19(26)17-22-14-6-3-4-7-15(14)23-17/h3-9,20H,2,10-13H2,1H3,(H,22,23)
InChIKey
KDBNFEINSPZSDH-UHFFFAOYSA-N
Compound name
1H-benzimidazol-2-yl-[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.18552 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.19280 183.9
[M+Na]+ 373.17474 190.2
[M-H]- 349.17824 186.5
[M+NH4]+ 368.21934 191.2
[M+K]+ 389.14868 182.7
[M+H-H2O]+ 333.18278 171.6
[M+HCOO]- 395.18372 197.6
[M+CH3COO]- 409.19937 191.4
[M+Na-2H]- 371.16019 186.8
[M]+ 350.18497 180.1
[M]- 350.18607 180.1
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.