CID 135600422

929975-40-6

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₂

SMILES

CC1=C(N(C2=C1C(=O)NC=N2)C3=CC=C(C=C3)O)C

InChI

InChI=1S/C14H13N3O2/c1-8-9(2)17(10-3-5-11(18)6-4-10)13-12(8)14(19)16-7-15-13/h3-7,18H,1-2H3,(H,15,16,19)

InChIKey

ILAQODIDVVVQOG-UHFFFAOYSA-N

Compound name

7-(4-hydroxyphenyl)-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.10077 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	256.108046	157.3
[M+Na]+	278.089988	170.1
[M-H]-	254.093494	160.3
[M+NH4]+	273.134593	172.5
[M+K]+	294.063928	163.7
[M+H-H2O]+	238.098030	149.2
[M+HCOO]-	300.098971	177.1
[M+CH3COO]-	314.114621	169.8
[M+Na-2H]-	276.075436	161.9
[M]+	255.10022142	159.4
[M]-	255.10131858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.