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]+ 341.197176 183.3
[M+Na]+ 363.179118 185.3
[M-H]- 339.182624 186.2
[M+NH4]+ 358.223723 192.3
[M+K]+ 379.153058 181.9
[M+H-H2O]+ 323.187160 172.6
[M+HCOO]- 385.188101 202.3
[M+CH3COO]- 399.203751 216.8
[M+Na-2H]- 361.164566 185.4
[M]+ 340.18935142 182.5
[M]- 340.19044858 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