CID 14978

Sangivamycin

Structural Information

Molecular Formula
C12H15N5O5
SMILES
C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N
InChI
InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1
InChIKey
OBZJZDHRXBKKTJ-JTFADIMSSA-N
Compound name
4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

88
References

624
Patents

309.10733 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11461 168.3
[M+Na]+ 332.09655 175.9
[M+NH4]+ 327.14115 171.5
[M+K]+ 348.07049 179.4
[M-H]- 308.10005 168.6
[M+Na-2H]- 330.08200 168.0
[M]+ 309.10678 168.7
[M]- 309.10788 168.7
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

patents stripe