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]+ 255.12404 157.9
[M+Na]+ 277.10598 173.3
[M+NH4]+ 272.15058 165.5
[M+K]+ 293.07992 168.4
[M-H]- 253.10948 161.3
[M+Na-2H]- 275.09143 165.5
[M]+ 254.11621 161.1
[M]- 254.11731 161.1
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.