CID 11824

Toyocamycin

Structural Information

Molecular Formula
C12H13N5O4
SMILES
C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C#N
InChI
InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
InChIKey
XOKJUSAYZUAMGJ-WOUKDFQISA-N
Compound name
4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

143
References

1195
Patents

291.09674 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10402 165.3
[M+Na]+ 314.08596 174.7
[M+NH4]+ 309.13056 166.6
[M+K]+ 330.05990 172.3
[M-H]- 290.08946 158.8
[M+Na-2H]- 312.07141 164.1
[M]+ 291.09619 163.5
[M]- 291.09729 163.5
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