CID 59351313

Amg 579

Structural Information

Molecular Formula
C25H23N5O3
SMILES
CC(=O)N1CCC(CC1)C2=NC=CN=C2OC3=CC=C(C=C3)C(=O)C4=NC5=CC=CC=C5N4
InChI
InChI=1S/C25H23N5O3/c1-16(31)30-14-10-17(11-15-30)22-25(27-13-12-26-22)33-19-8-6-18(7-9-19)23(32)24-28-20-4-2-3-5-21(20)29-24/h2-9,12-13,17H,10-11,14-15H2,1H3,(H,28,29)
InChIKey
ZNPDAYJZIRPRFQ-UHFFFAOYSA-N
Compound name
1-[4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

50
Patents

441.18008 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.18736 205.8
[M+Na]+ 464.16930 211.3
[M-H]- 440.17280 211.3
[M+NH4]+ 459.21390 208.5
[M+K]+ 480.14324 203.5
[M+H-H2O]+ 424.17734 191.9
[M+HCOO]- 486.17828 216.6
[M+CH3COO]- 500.19393 211.6
[M+Na-2H]- 462.15475 205.3
[M]+ 441.17953 203.3
[M]- 441.18063 203.3
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