CID 447199

Formycin a

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1=NC2=C(NN=C2C(=N1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)/t3-,7-,8-,9+/m1/s1
InChIKey
KBHMEHLJSZMEMI-KSYZLYKTSA-N
Compound name
(2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

85
References

562
Patents

267.09674 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10402 157.5
[M+Na]+ 290.08596 167.3
[M-H]- 266.08946 157.0
[M+NH4]+ 285.13056 169.1
[M+K]+ 306.05990 163.4
[M+H-H2O]+ 250.09400 150.1
[M+HCOO]- 312.09494 172.0
[M+CH3COO]- 326.11059 167.7
[M+Na-2H]- 288.07141 158.9
[M]+ 267.09619 155.9
[M]- 267.09729 155.9
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