CID 4962113

103026-12-6

Structural Information

Molecular Formula
C13H14N4O
SMILES
CC1=C(N(C2=NC=NC(=C12)N)CC3=CC=CO3)C
InChI
InChI=1S/C13H14N4O/c1-8-9(2)17(6-10-4-3-5-18-10)13-11(8)12(14)15-7-16-13/h3-5,7H,6H2,1-2H3,(H2,14,15,16)
InChIKey
JOCMWXDUQHVTDD-UHFFFAOYSA-N
Compound name
7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.11676 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.124036 153.9
[M+Na]+ 265.105978 166.2
[M-H]- 241.109484 159.7
[M+NH4]+ 260.150583 171.0
[M+K]+ 281.079918 162.7
[M+H-H2O]+ 225.114020 146.0
[M+HCOO]- 287.114961 177.2
[M+CH3COO]- 301.130611 167.6
[M+Na-2H]- 263.091426 157.9
[M]+ 242.11621142 158.1
[M]- 242.11730858 158.1
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

No patent data available for this compound.