CID 3068453

Brn 5617982

Structural Information

Molecular Formula
C13H23N5O4
SMILES
CC(C)C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)N(C)N=O
InChI
InChI=1S/C13H23N5O4/c1-8(2)7-9(11(14)19)15-12(20)10-5-4-6-18(10)13(21)17(3)16-22/h8-10H,4-7H2,1-3H3,(H2,14,19)(H,15,20)/t9-,10-/m0/s1
InChIKey
FSNZRWROIZLOHQ-UWVGGRQHSA-N
Compound name
(2S)-2-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-N-methyl-1-N-nitrosopyrrolidine-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.17502 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18230 173.1
[M+Na]+ 336.16424 174.1
[M+NH4]+ 331.20884 175.4
[M+K]+ 352.13818 176.4
[M-H]- 312.16774 171.4
[M+Na-2H]- 334.14969 171.7
[M]+ 313.17447 171.5
[M]- 313.17557 171.5
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

No patent data available for this compound.