CID 135538734

138420-47-0

Structural Information

Molecular Formula
C12H16N4O3
SMILES
C1C(CC1(CO)CO)N2C=CC3=C2N=C(NC3=O)N
InChI
InChI=1S/C12H16N4O3/c13-11-14-9-8(10(19)15-11)1-2-16(9)7-3-12(4-7,5-17)6-18/h1-2,7,17-18H,3-6H2,(H3,13,14,15,19)
InChIKey
ZUHBBCQMRSQBKI-UHFFFAOYSA-N
Compound name
2-amino-7-[3,3-bis(hydroxymethyl)cyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.12225 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12953 161.7
[M+Na]+ 287.11147 170.1
[M-H]- 263.11497 162.1
[M+NH4]+ 282.15607 170.4
[M+K]+ 303.08541 167.9
[M+H-H2O]+ 247.11951 149.1
[M+HCOO]- 309.12045 177.8
[M+CH3COO]- 323.13610 194.2
[M+Na-2H]- 285.09692 165.1
[M]+ 264.12170 169.1
[M]- 264.12280 169.1
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.