CID 3086575

Bmy 28190

Structural Information

Molecular Formula
C8H20N4O3
SMILES
C(CN)C(C(=O)NCCC(C(O)O)N)N
InChI
InChI=1S/C8H20N4O3/c9-3-1-5(10)7(13)12-4-2-6(11)8(14)15/h5-6,8,14-15H,1-4,9-11H2,(H,12,13)
InChIKey
MIEZRZMKKGVNOZ-UHFFFAOYSA-N
Compound name
2,4-diamino-N-(3-amino-4,4-dihydroxybutyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

220.15353 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16081 152.2
[M+Na]+ 243.14275 153.5
[M-H]- 219.14625 147.8
[M+NH4]+ 238.18735 166.5
[M+K]+ 259.11669 153.3
[M+H-H2O]+ 203.15079 145.2
[M+HCOO]- 265.15173 171.3
[M+CH3COO]- 279.16738 195.8
[M+Na-2H]- 241.12820 149.7
[M]+ 220.15298 144.9
[M]- 220.15408 144.9
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.