CID 3013428

.alpha.-d-glucopyranoside, 6-[[[(aminoiminomethyl)amino]acetyl]amino]-6-deoxy-.alpha.-d-glucopyranosyl 6-[[[(aminoiminomethyl)amino]acetyl]amino]-6-deoxy-

Structural Information

Molecular Formula
C18H34N8O11
SMILES
C([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)CNC(=O)CN=C(N)N)O)O)O)O)O)O)NC(=O)CN=C(N)N
InChI
InChI=1S/C18H34N8O11/c19-17(20)25-3-7(27)23-1-5-9(29)11(31)13(33)15(35-5)37-16-14(34)12(32)10(30)6(36-16)2-24-8(28)4-26-18(21)22/h5-6,9-16,29-34H,1-4H2,(H,23,27)(H,24,28)(H4,19,20,25)(H4,21,22,26)/t5-,6-,9-,10-,11+,12+,13-,14-,15-,16-/m1/s1
InChIKey
FKPHOGSHLJUVMD-MRESEURPSA-N
Compound name
2-(diaminomethylideneamino)-N-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-[[[2-(diaminomethylideneamino)acetyl]amino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

538.2347 Da
Monoisotopic Mass

-6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.24198 225.2
[M+Na]+ 561.22392 221.2
[M-H]- 537.22742 219.6
[M+NH4]+ 556.26852 224.9
[M+K]+ 577.19786 229.3
[M+H-H2O]+ 521.23196 213.1
[M+HCOO]- 583.23290 226.5
[M+CH3COO]- 597.24855 230.5
[M+Na-2H]- 559.20937 262.3
[M]+ 538.23415 239.8
[M]- 538.23525 239.8
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

No patent data available for this compound.