CID 71666749

Pf-06305591

Structural Information

Molecular Formula
C15H22N4O
SMILES
C[C@H]([C@@H](C1=NC2=C(N1)C=C(C=C2)C(C)(C)C)N)C(=O)N
InChI
InChI=1S/C15H22N4O/c1-8(13(17)20)12(16)14-18-10-6-5-9(15(2,3)4)7-11(10)19-14/h5-8,12H,16H2,1-4H3,(H2,17,20)(H,18,19)/t8-,12+/m1/s1
InChIKey
APWZIFIAVVFPNT-PELKAZGASA-N
Compound name
(2R,3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

17
Patents

274.17935 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.18663 165.0
[M+Na]+ 297.16857 173.2
[M+NH4]+ 292.21317 170.4
[M+K]+ 313.14251 172.1
[M-H]- 273.17207 164.6
[M+Na-2H]- 295.15402 167.5
[M]+ 274.17880 165.6
[M]- 274.17990 165.6
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