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]+ 373.18703 187.9
[M+Na]+ 395.16897 188.7
[M-H]- 371.17247 189.5
[M+NH4]+ 390.21357 194.6
[M+K]+ 411.14291 186.7
[M+H-H2O]+ 355.17701 177.3
[M+HCOO]- 417.17795 204.8
[M+CH3COO]- 431.19360 219.8
[M+Na-2H]- 393.15442 188.7
[M]+ 372.17920 187.4
[M]- 372.18030 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.