CID 11675994

Azd-1940

Structural Information

Molecular Formula
C20H29F2N3O2S
SMILES
CCS(=O)(=O)NC1=CC2=C(C=C1)N(C(=N2)C(C)(C)C)CC3CCC(CC3)(F)F
InChI
InChI=1S/C20H29F2N3O2S/c1-5-28(26,27)24-15-6-7-17-16(12-15)23-18(19(2,3)4)25(17)13-14-8-10-20(21,22)11-9-14/h6-7,12,14,24H,5,8-11,13H2,1-4H3
InChIKey
ZAGGGZCIFUQHOH-UHFFFAOYSA-N
Compound name
N-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

45
Patents

413.19485 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.20213 196.6
[M+Na]+ 436.18407 204.5
[M+NH4]+ 431.22867 202.4
[M+K]+ 452.15801 197.4
[M-H]- 412.18757 195.0
[M+Na-2H]- 434.16952 200.6
[M]+ 413.19430 197.6
[M]- 413.19540 197.6
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