CID 155126870

Chembl4515785

Structural Information

Molecular Formula
C19H23FN6O2
SMILES
CC1=C(N=CN=C1N(C)C)CN2C=NC3=C(C=C(C=C32)OC)C(=O)NCCF
InChI
InChI=1S/C19H23FN6O2/c1-12-15(22-10-23-18(12)25(2)3)9-26-11-24-17-14(19(27)21-6-5-20)7-13(28-4)8-16(17)26/h7-8,10-11H,5-6,9H2,1-4H3,(H,21,27)
InChIKey
IFCRCMQRVAROBG-UHFFFAOYSA-N
Compound name
1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxybenzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

386.18665 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.19393 193.2
[M+Na]+ 409.17587 202.4
[M-H]- 385.17937 196.9
[M+NH4]+ 404.22047 202.7
[M+K]+ 425.14981 197.8
[M+H-H2O]+ 369.18391 181.1
[M+HCOO]- 431.18485 213.4
[M+CH3COO]- 445.20050 230.2
[M+Na-2H]- 407.16132 195.2
[M]+ 386.18610 199.2
[M]- 386.18720 199.2
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