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]+ 247.155336 156.7
[M+Na]+ 269.137278 166.8
[M-H]- 245.140784 161.6
[M+NH4]+ 264.181883 173.4
[M+K]+ 285.111218 163.7
[M+H-H2O]+ 229.145320 148.6
[M+HCOO]- 291.146261 177.1
[M+CH3COO]- 305.161911 169.2
[M+Na-2H]- 267.122726 158.6
[M]+ 246.14751142 158.0
[M]- 246.14860858 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.