CID 68918

Som 1122

Structural Information

Molecular Formula
C20H24FN3O2
SMILES
CC(C)(CCN1C=NC2=CC=CC=C21)NCC(C3=C(C=C(C=C3)O)F)O
InChI
InChI=1S/C20H24FN3O2/c1-20(2,9-10-24-13-22-17-5-3-4-6-18(17)24)23-12-19(26)15-8-7-14(25)11-16(15)21/h3-8,11,13,19,23,25-26H,9-10,12H2,1-2H3
InChIKey
KOTMQCNDGLTIHR-UHFFFAOYSA-N
Compound name
4-[2-[[4-(benzimidazol-1-yl)-2-methylbutan-2-yl]amino]-1-hydroxyethyl]-3-fluorophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1708
Patents

357.18524 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.192516 185.8
[M+Na]+ 380.174458 192.8
[M-H]- 356.177964 187.4
[M+NH4]+ 375.219063 197.2
[M+K]+ 396.148398 186.7
[M+H-H2O]+ 340.182500 176.4
[M+HCOO]- 402.183441 202.2
[M+CH3COO]- 416.199091 214.1
[M+Na-2H]- 378.159906 188.9
[M]+ 357.18469142 186.5
[M]- 357.18578858 186.5
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

patents stripe