CID 5279710

Chembl242671

Structural Information

Molecular Formula
C23H30N6O2
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CCC(=O)N)CC4=C(C=CC(=N4)C)O
InChI
InChI=1S/C23H30N6O2/c1-15-4-3-5-19-22(15)27-23(29(19)14-18-20(30)7-6-16(2)25-18)26-17-8-11-28(12-9-17)13-10-21(24)31/h3-7,17,30H,8-14H2,1-2H3,(H2,24,31)(H,26,27)
InChIKey
PIKOEUWGSVTIKC-UHFFFAOYSA-N
Compound name
3-[4-[[1-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

422.243 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.25028 204.8
[M+Na]+ 445.23222 210.7
[M-H]- 421.23572 208.8
[M+NH4]+ 440.27682 210.7
[M+K]+ 461.20616 203.4
[M+H-H2O]+ 405.24026 193.1
[M+HCOO]- 467.24120 219.0
[M+CH3COO]- 481.25685 211.3
[M+Na-2H]- 443.21767 203.5
[M]+ 422.24245 203.0
[M]- 422.24355 203.0
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.