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 158.6
[M+Na]+ 277.10598 171.0
[M-H]- 253.10948 162.5
[M+NH4]+ 272.15058 174.2
[M+K]+ 293.07992 164.9
[M+H-H2O]+ 237.11402 150.2
[M+HCOO]- 299.11496 180.1
[M+CH3COO]- 313.13061 171.2
[M+Na-2H]- 275.09143 163.3
[M]+ 254.11621 160.3
[M]- 254.11731 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.