CID 155137890

Chembl4458792

Structural Information

Molecular Formula
C18H20FN5O3
SMILES
CC1=C(N=CN=C1OC)CN2C=NC3=C(C=C(C=C32)OC)C(=O)NCCF
InChI
InChI=1S/C18H20FN5O3/c1-11-14(21-9-22-18(11)27-3)8-24-10-23-16-13(17(25)20-5-4-19)6-12(26-2)7-15(16)24/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,25)
InChIKey
SIISRXVIHZWTCL-UHFFFAOYSA-N
Compound name
N-(2-fluoroethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

373.15503 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16231 188.1
[M+Na]+ 396.14425 198.3
[M-H]- 372.14775 190.4
[M+NH4]+ 391.18885 197.7
[M+K]+ 412.11819 193.1
[M+H-H2O]+ 356.15229 176.4
[M+HCOO]- 418.15323 207.2
[M+CH3COO]- 432.16888 221.2
[M+Na-2H]- 394.12970 190.5
[M]+ 373.15448 194.5
[M]- 373.15558 194.5
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