CID 3078673

122113-27-3

Structural Information

Molecular Formula
C16H18N4O
SMILES
CN1C(=O)CC2=CN=C(N=C21)N(C)CCC3=CC=CC=C3
InChI
InChI=1S/C16H18N4O/c1-19(9-8-12-6-4-3-5-7-12)16-17-11-13-10-14(21)20(2)15(13)18-16/h3-7,11H,8-10H2,1-2H3
InChIKey
JZEWCRSFODDWMQ-UHFFFAOYSA-N
Compound name
7-methyl-2-[methyl(2-phenylethyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.14807 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15535 166.1
[M+Na]+ 305.13729 179.6
[M+NH4]+ 300.18189 173.7
[M+K]+ 321.11123 174.2
[M-H]- 281.14079 169.6
[M+Na-2H]- 303.12274 173.3
[M]+ 282.14752 168.9
[M]- 282.14862 168.9
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.