CID 489437

1-(benzimidazolyl-2-carbonyl)-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C20H24N6O
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C20H24N6O/c1-14(2)22-17-8-5-9-21-19(17)25-10-12-26(13-11-25)20(27)18-23-15-6-3-4-7-16(15)24-18/h3-9,14,22H,10-13H2,1-2H3,(H,23,24)
InChIKey
YQYRVYOBMSVJGX-UHFFFAOYSA-N
Compound name
1H-benzimidazol-2-yl-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.20117 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.20845 188.0
[M+Na]+ 387.19039 193.4
[M-H]- 363.19389 190.5
[M+NH4]+ 382.23499 194.6
[M+K]+ 403.16433 186.3
[M+H-H2O]+ 347.19843 175.7
[M+HCOO]- 409.19937 200.3
[M+CH3COO]- 423.21502 194.9
[M+Na-2H]- 385.17584 189.4
[M]+ 364.20062 183.9
[M]- 364.20172 183.9
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.