CID 68731692

Bortezomib impurity h

Structural Information

Molecular Formula
C19H24N4O2
SMILES
CC(C)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2
InChI
InChI=1S/C19H24N4O2/c1-14(2)8-9-22-18(24)16(12-15-6-4-3-5-7-15)23-19(25)17-13-20-10-11-21-17/h3-7,10-11,13-14,16H,8-9,12H2,1-2H3,(H,22,24)(H,23,25)/t16-/m0/s1
InChIKey
UJZOAWFAGJVEGQ-INIZCTEOSA-N
Compound name
N-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

340.1899 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19718 183.3
[M+Na]+ 363.17912 185.3
[M-H]- 339.18262 186.2
[M+NH4]+ 358.22372 192.3
[M+K]+ 379.15306 181.9
[M+H-H2O]+ 323.18716 172.6
[M+HCOO]- 385.18810 202.3
[M+CH3COO]- 399.20375 216.8
[M+Na-2H]- 361.16457 185.4
[M]+ 340.18935 182.5
[M]- 340.19045 182.5
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