CID 25183872

Ixazomib

Structural Information

Molecular Formula
C14H19BCl2N2O4
SMILES
B([C@H](CC(C)C)NC(=O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl)(O)O
InChI
InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
InChIKey
MXAYKZJJDUDWDS-LBPRGKRZSA-N
Compound name
[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

353
References

10078
Patents

360.08148 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.08876 179.6
[M+Na]+ 383.07070 187.2
[M+NH4]+ 378.11530 183.9
[M+K]+ 399.04464 184.1
[M-H]- 359.07420 178.5
[M+Na-2H]- 381.05615 180.8
[M]+ 360.08093 180.3
[M]- 360.08203 180.3
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