CID 512281

4-guanidino-n-[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-((2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-ylmethyl]-butyramide

Structural Information

Molecular Formula
C17H32N4O11
SMILES
C(CC(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H]([C@@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)CN=C(N)N
InChI
InChI=1S/C17H32N4O11/c18-17(19)20-3-1-2-8(23)21-4-6-9(24)11(26)13(28)15(30-6)32-16-14(29)12(27)10(25)7(5-22)31-16/h6-7,9-16,22,24-29H,1-5H2,(H,21,23)(H4,18,19,20)/t6-,7-,9-,10+,11+,12-,13-,14+,15-,16+/m1/s1
InChIKey
ZAOZJSYYPADDQN-IZTBFSJASA-N
Compound name
4-(diaminomethylideneamino)-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.20676 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.21404 212.5
[M+Na]+ 491.19598 211.2
[M-H]- 467.19948 205.4
[M+NH4]+ 486.24058 212.0
[M+K]+ 507.16992 214.6
[M+H-H2O]+ 451.20402 201.7
[M+HCOO]- 513.20496 214.3
[M+CH3COO]- 527.22061 241.1
[M+Na-2H]- 489.18143 242.1
[M]+ 468.20621 219.7
[M]- 468.20731 219.7
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.