CID 155137892

Chembl4552107

Structural Information

Molecular Formula
C18H20FN5O2
SMILES
CC1=CC(=C2C(=C1)N(C=N2)CC3=C(C(=NC=N3)OC)C)C(=O)NCCF
InChI
InChI=1S/C18H20FN5O2/c1-11-6-13(17(25)20-5-4-19)16-15(7-11)24(10-23-16)8-14-12(2)18(26-3)22-9-21-14/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,25)
InChIKey
GDZUTXMICYGGFM-UHFFFAOYSA-N
Compound name
N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylbenzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

357.1601 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16738 185.7
[M+Na]+ 380.14932 196.3
[M-H]- 356.15282 188.0
[M+NH4]+ 375.19392 196.1
[M+K]+ 396.12326 190.3
[M+H-H2O]+ 340.15736 174.2
[M+HCOO]- 402.15830 204.7
[M+CH3COO]- 416.17395 219.0
[M+Na-2H]- 378.13477 188.0
[M]+ 357.15955 190.8
[M]- 357.16065 190.8
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.