CID 23633673

Azd-1386

Structural Information

Molecular Formula
C21H23F2N3O
SMILES
C[C@@H](C1=CC=C(C=C1)C(C)(C)C)NC(=O)CN2C=NC3=C2C(=C(C=C3)F)F
InChI
InChI=1S/C21H23F2N3O/c1-13(14-5-7-15(8-6-14)21(2,3)4)25-18(27)11-26-12-24-17-10-9-16(22)19(23)20(17)26/h5-10,12-13H,11H2,1-4H3,(H,25,27)/t13-/m0/s1
InChIKey
FPGNKXCEPARJDI-ZDUSSCGKSA-N
Compound name
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

64
Patents

371.1809 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18818 190.5
[M+Na]+ 394.17012 199.3
[M-H]- 370.17362 193.7
[M+NH4]+ 389.21472 203.0
[M+K]+ 410.14406 193.3
[M+H-H2O]+ 354.17816 179.9
[M+HCOO]- 416.17910 207.4
[M+CH3COO]- 430.19475 222.3
[M+Na-2H]- 392.15557 191.1
[M]+ 371.18035 191.6
[M]- 371.18145 191.6
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