CID 91827873

886979-78-8

Structural Information

Molecular Formula
C19H24N4O4
SMILES
CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)OO
InChI
InChI=1S/C19H24N4O4/c1-13(2)10-17(27-26)23-18(24)15(11-14-6-4-3-5-7-14)22-19(25)16-12-20-8-9-21-16/h3-9,12-13,15,17,26H,10-11H2,1-2H3,(H,22,25)(H,23,24)/t15-,17+/m0/s1
InChIKey
ATPZUYZYORUVIK-DOTOQJQBSA-N
Compound name
N-[(2S)-1-[[(1R)-1-hydroperoxy-3-methylbutyl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.17975 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.187026 187.9
[M+Na]+ 395.168968 188.7
[M-H]- 371.172474 189.5
[M+NH4]+ 390.213573 194.6
[M+K]+ 411.142908 186.7
[M+H-H2O]+ 355.177010 177.3
[M+HCOO]- 417.177951 204.8
[M+CH3COO]- 431.193601 219.8
[M+Na-2H]- 393.154416 188.7
[M]+ 372.17920142 187.4
[M]- 372.18029858 187.4
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

No patent data available for this compound.