CID 3000302

2-amino-6-mercapto-ddp

Structural Information

Molecular Formula
C10H13N5O2S
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC(=NC3=S)N
InChI
InChI=1S/C10H13N5O2S/c11-10-13-8-7(9(18)14-10)12-4-15(8)6-2-1-5(3-16)17-6/h4-6,16H,1-3H2,(H3,11,13,14,18)/t5-,6+/m0/s1
InChIKey
VPWVDNUKBIMKBG-NTSWFWBYSA-N
Compound name
2-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

267.079 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08628 157.1
[M+Na]+ 290.06822 168.7
[M-H]- 266.07172 159.0
[M+NH4]+ 285.11282 171.1
[M+K]+ 306.04216 163.9
[M+H-H2O]+ 250.07626 150.6
[M+HCOO]- 312.07720 170.1
[M+CH3COO]- 326.09285 168.4
[M+Na-2H]- 288.05367 157.0
[M]+ 267.07845 157.7
[M]- 267.07955 157.7
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