CID 207169

Ll-ab 664

Structural Information

Molecular Formula
C18H30N8O8
SMILES
CN1C[C@H]([C@@H]2[C@@H](C1=O)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)N(C)C(=O)CN=CN)O
InChI
InChI=1S/C18H30N8O8/c1-25-4-7(28)10-11(16(25)31)23-18(22-10)24-15-12(26(2)9(29)3-21-6-19)13(30)14(34-17(20)32)8(5-27)33-15/h6-8,10-15,27-28,30H,3-5H2,1-2H3,(H2,19,21)(H2,20,32)(H2,22,23,24)/t7-,8-,10-,11+,12-,13+,14+,15-/m1/s1
InChIKey
VMULEITVZASJMA-BBLFBTFMSA-N
Compound name
[(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]amino]-5-[[2-(aminomethylideneamino)acetyl]-methylamino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

486.21866 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.22594 215.4
[M+Na]+ 509.20788 214.3
[M-H]- 485.21138 206.1
[M+NH4]+ 504.25248 214.1
[M+K]+ 525.18182 216.0
[M+H-H2O]+ 469.21592 200.0
[M+HCOO]- 531.21686 216.1
[M+CH3COO]- 545.23251 252.2
[M+Na-2H]- 507.19333 233.9
[M]+ 486.21811 226.3
[M]- 486.21921 226.3
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