CID 16227740

929975-39-3

Structural Information

Molecular Formula
C13H18N4O
SMILES
CC1=C(N(C2=NC=NC(=C12)N)CC3CCCO3)C
InChI
InChI=1S/C13H18N4O/c1-8-9(2)17(6-10-4-3-5-18-10)13-11(8)12(14)15-7-16-13/h7,10H,3-6H2,1-2H3,(H2,14,15,16)
InChIKey
NNAQFXXSPQYLNJ-UHFFFAOYSA-N
Compound name
5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.14806 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15534 156.7
[M+Na]+ 269.13728 166.8
[M-H]- 245.14078 161.6
[M+NH4]+ 264.18188 173.4
[M+K]+ 285.11122 163.7
[M+H-H2O]+ 229.14532 148.6
[M+HCOO]- 291.14626 177.1
[M+CH3COO]- 305.16191 169.2
[M+Na-2H]- 267.12273 158.6
[M]+ 246.14751 158.0
[M]- 246.14861 158.0
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.