CID 3039340

Butirosamine

Structural Information

Molecular Formula
C16H33N5O8
SMILES
C1C(C(C(C(C1NC(=O)C(CCN)O)O)O)OC2C(C(C(C(O2)CN)O)O)N)N
InChI
InChI=1S/C16H33N5O8/c17-2-1-7(22)15(27)21-6-3-5(19)14(13(26)10(6)23)29-16-9(20)12(25)11(24)8(4-18)28-16/h5-14,16,22-26H,1-4,17-20H2,(H,21,27)
InChIKey
HBJPTJYMDQDYRR-UHFFFAOYSA-N
Compound name
4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-2-hydroxybutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

423.2329 Da
Monoisotopic Mass

-6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.24018 202.8
[M+Na]+ 446.22212 203.2
[M-H]- 422.22562 195.9
[M+NH4]+ 441.26672 203.1
[M+K]+ 462.19606 206.9
[M+H-H2O]+ 406.23016 189.9
[M+HCOO]- 468.23110 205.4
[M+CH3COO]- 482.24675 237.8
[M+Na-2H]- 444.20757 234.4
[M]+ 423.23235 214.5
[M]- 423.23345 214.5
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

patents stripe