CID 16227674

929974-65-2

Structural Information

Molecular Formula
C14H14N4O
SMILES
CC1=C(N(C2=NC=NC(=C12)N)C3=CC=C(C=C3)O)C
InChI
InChI=1S/C14H14N4O/c1-8-9(2)18(10-3-5-11(19)6-4-10)14-12(8)13(15)16-7-17-14/h3-7,19H,1-2H3,(H2,15,16,17)
InChIKey
VILCUQQFJSPNQQ-UHFFFAOYSA-N
Compound name
4-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11676 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.124036 158.6
[M+Na]+ 277.105978 171.0
[M-H]- 253.109484 162.5
[M+NH4]+ 272.150583 174.2
[M+K]+ 293.079918 164.9
[M+H-H2O]+ 237.114020 150.2
[M+HCOO]- 299.114961 180.1
[M+CH3COO]- 313.130611 171.2
[M+Na-2H]- 275.091426 163.3
[M]+ 254.11621142 160.3
[M]- 254.11730858 160.3
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.