CID 5279657

Schembl4288001

Structural Information

Molecular Formula
C24H33N5O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NCCCN4CCCCC4)C)C
InChI
InChI=1S/C24H33N5O/c1-17-14-18(2)23-21(15-17)29(16-20-22(30)9-8-19(3)26-20)24(27-23)25-10-7-13-28-11-5-4-6-12-28/h8-9,14-15,30H,4-7,10-13,16H2,1-3H3,(H,25,27)
InChIKey
XGQJYSCKUPTWGT-UHFFFAOYSA-N
Compound name
2-[[4,6-dimethyl-2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

407.26852 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.27580 205.2
[M+Na]+ 430.25774 211.8
[M-H]- 406.26124 209.1
[M+NH4]+ 425.30234 212.5
[M+K]+ 446.23168 203.6
[M+H-H2O]+ 390.26578 193.0
[M+HCOO]- 452.26672 219.1
[M+CH3COO]- 466.28237 212.1
[M+Na-2H]- 428.24319 204.0
[M]+ 407.26797 204.9
[M]- 407.26907 204.9
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.