CID 3078669

122113-25-1

Structural Information

Molecular Formula
C16H16N4O
SMILES
CN1C(=O)CC2=CN=C(N=C21)N3CCC4=CC=CC=C4C3
InChI
InChI=1S/C16H16N4O/c1-19-14(21)8-13-9-17-16(18-15(13)19)20-7-6-11-4-2-3-5-12(11)10-20/h2-5,9H,6-8,10H2,1H3
InChIKey
CDDGZUUBBQUOEA-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13242 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13970 166.9
[M+Na]+ 303.12164 181.7
[M+NH4]+ 298.16624 175.1
[M+K]+ 319.09558 175.6
[M-H]- 279.12514 169.9
[M+Na-2H]- 301.10709 172.8
[M]+ 280.13187 169.8
[M]- 280.13297 169.8
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.