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]+ 243.12404 153.9
[M+Na]+ 265.10598 166.2
[M-H]- 241.10948 159.7
[M+NH4]+ 260.15058 171.0
[M+K]+ 281.07992 162.7
[M+H-H2O]+ 225.11402 146.0
[M+HCOO]- 287.11496 177.2
[M+CH3COO]- 301.13061 167.6
[M+Na-2H]- 263.09143 157.9
[M]+ 242.11621 158.1
[M]- 242.11731 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.