CID 92910

2002-44-0

Structural Information

Molecular Formula
C13H24N4O3
SMILES
CC(C)C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1
InChI
InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
InChIKey
NOOJLZTTWSNHOX-UWVGGRQHSA-N
Compound name
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

529
References

1213
Patents

284.18484 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19212 170.5
[M+Na]+ 307.17406 170.3
[M-H]- 283.17756 169.5
[M+NH4]+ 302.21866 183.7
[M+K]+ 323.14800 169.5
[M+H-H2O]+ 267.18210 162.4
[M+HCOO]- 329.18304 187.4
[M+CH3COO]- 343.19869 205.9
[M+Na-2H]- 305.15951 166.2
[M]+ 284.18429 163.7
[M]- 284.18539 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe