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

literature stripe

Patent stripe

patents stripe