CID 5497045

N-{[(2-methyl-2-propanyl)oxy]carbonyl}-l-alanyl-l-alaninamide

Structural Information

Molecular Formula
C11H21N3O4
SMILES
C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21N3O4/c1-6(8(12)15)13-9(16)7(2)14-10(17)18-11(3,4)5/h6-7H,1-5H3,(H2,12,15)(H,13,16)(H,14,17)/t6-,7-/m0/s1
InChIKey
OAXZAMSRJZWMEV-BQBZGAKWSA-N
Compound name
tert-butyl N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

259.1532 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16048 161.7
[M+Na]+ 282.14242 164.5
[M-H]- 258.14592 161.2
[M+NH4]+ 277.18702 177.0
[M+K]+ 298.11636 166.1
[M+H-H2O]+ 242.15046 155.6
[M+HCOO]- 304.15140 181.4
[M+CH3COO]- 318.16705 204.4
[M+Na-2H]- 280.12787 160.6
[M]+ 259.15265 160.9
[M]- 259.15375 160.9
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