CID 488030

Vrc3488

Structural Information

Molecular Formula
C14H25N3O4
SMILES
CCCC[C@H](CC(=O)NO)C(=O)N1CCC[C@H]1C(=O)NC
InChI
InChI=1S/C14H25N3O4/c1-3-4-6-10(9-12(18)16-21)14(20)17-8-5-7-11(17)13(19)15-2/h10-11,21H,3-9H2,1-2H3,(H,15,19)(H,16,18)/t10-,11+/m1/s1
InChIKey
KWWFWGUXEVFSLJ-MNOVXSKESA-N
Compound name
(2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-methylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

299.1845 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19178 173.8
[M+Na]+ 322.17372 175.2
[M-H]- 298.17722 173.5
[M+NH4]+ 317.21832 187.5
[M+K]+ 338.14766 174.3
[M+H-H2O]+ 282.18176 166.2
[M+HCOO]- 344.18270 191.2
[M+CH3COO]- 358.19835 205.8
[M+Na-2H]- 320.15917 170.2
[M]+ 299.18395 171.6
[M]- 299.18505 171.6
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