CID 3075380

Thiazolo(2,3-f)purine-3(2h)-acetamide, 1,4,6,7-tetrahydro-n,n-bis(2-hydroxyethyl)-2,4-dioxo-1-methyl-

Structural Information

Molecular Formula
C14H19N5O5S
SMILES
CN1C2=C(C(=O)N(C1=O)CC(=O)N(CCO)CCO)N3CCSC3=N2
InChI
InChI=1S/C14H19N5O5S/c1-16-11-10(18-4-7-25-13(18)15-11)12(23)19(14(16)24)8-9(22)17(2-5-20)3-6-21/h20-21H,2-8H2,1H3
InChIKey
IUDSLGZLKJRSSU-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)-2-(4-methyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1107 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.11798 184.2
[M+Na]+ 392.09992 192.5
[M+NH4]+ 387.14452 187.7
[M+K]+ 408.07386 191.6
[M-H]- 368.10342 181.4
[M+Na-2H]- 390.08537 183.2
[M]+ 369.11015 184.4
[M]- 369.11125 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.