PubChemLite - Formycin-5'-monophosphate (C10H14N5O7P)

Structural Information

Molecular Formula

SMILES

C1=NC2=C(NN=C2C(=N1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

InChI

InChI=1S/C10H14N5O7P/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(17)7(16)3(22-9)1-21-23(18,19)20/h2-3,7-9,16-17H,1H2,(H,14,15)(H2,11,12,13)(H2,18,19,20)/t3-,7-,8-,9+/m1/s1

InChIKey

PBAHXXBYQACZMA-KSYZLYKTSA-N

Compound name

[(2R,3S,4R,5S)-5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	348.07036	173.3
[M+Na]+	370.05230	179.1
[M+NH4]+	365.09690	174.1
[M+K]+	386.02624	185.1
[M-H]-	346.05580	170.1
[M+Na-2H]-	368.03775	171.4
[M]+	347.06253	172.2
[M]-	347.06363	172.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

348.07036

173.3

[M+Na]+

370.05230

179.1

[M+NH4]+

365.09690

174.1

[M+K]+

386.02624

185.1

[M-H]-

346.05580

170.1

[M+Na-2H]-

368.03775

171.4

[M]+

347.06253

172.2

[M]-

347.06363

172.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Formycin-5'-monophosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe