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 174.2
[M+Na]+ 336.16424 175.3
[M-H]- 312.16774 177.9
[M+NH4]+ 331.20884 188.2
[M+K]+ 352.13818 177.8
[M+H-H2O]+ 296.17228 165.5
[M+HCOO]- 358.17322 196.0
[M+CH3COO]- 372.18887 221.2
[M+Na-2H]- 334.14969 170.4
[M]+ 313.17447 172.8
[M]- 313.17557 172.8
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.