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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 157.3
[M+Na]+ 278.08999 170.1
[M-H]- 254.09349 160.3
[M+NH4]+ 273.13459 172.5
[M+K]+ 294.06393 163.7
[M+H-H2O]+ 238.09803 149.2
[M+HCOO]- 300.09897 177.1
[M+CH3COO]- 314.11462 169.8
[M+Na-2H]- 276.07544 161.9
[M]+ 255.10022 159.4
[M]- 255.10132 159.4
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.