CID 3078685

122113-35-3

Structural Information

Molecular Formula
C18H21N5O2
SMILES
CN1C(=O)CC2=CN=C(N=C21)N3CCN(CC3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C18H21N5O2/c1-21-16(24)11-13-12-19-18(20-17(13)21)23-9-7-22(8-10-23)14-3-5-15(25-2)6-4-14/h3-6,12H,7-11H2,1-2H3
InChIKey
HPLSSJSSANQXIA-UHFFFAOYSA-N
Compound name
2-[4-(4-methoxyphenyl)piperazin-1-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

339.16953 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17681 183.2
[M+Na]+ 362.15875 197.3
[M+NH4]+ 357.20335 189.5
[M+K]+ 378.13269 192.2
[M-H]- 338.16225 186.4
[M+Na-2H]- 360.14420 189.3
[M]+ 339.16898 186.0
[M]- 339.17008 186.0
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.