CID 130560

Zincov

Structural Information

Molecular Formula
C12H22N4O5
SMILES
C[C@@H](C(=O)NCC(=O)N)NC(=O)C(CC(C)C)C(=O)NO
InChI
InChI=1S/C12H22N4O5/c1-6(2)4-8(12(20)16-21)11(19)15-7(3)10(18)14-5-9(13)17/h6-8,21H,4-5H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)(H,16,20)/t7-,8?/m0/s1
InChIKey
FGSNBBSHVNLDMX-JAMMHHFISA-N
Compound name
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

8
Patents

302.15903 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16631 172.9
[M+Na]+ 325.14825 173.2
[M-H]- 301.15175 170.5
[M+NH4]+ 320.19285 184.8
[M+K]+ 341.12219 174.8
[M+H-H2O]+ 285.15629 165.4
[M+HCOO]- 347.15723 191.6
[M+CH3COO]- 361.17288 214.6
[M+Na-2H]- 323.13370 167.7
[M]+ 302.15848 169.7
[M]- 302.15958 169.7
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