CID 3078677

122113-29-5

Structural Information

Molecular Formula
C14H21N5O
SMILES
CC(C)N1CCN(CC1)C2=NC=C3CC(=O)N(C3=N2)C
InChI
InChI=1S/C14H21N5O/c1-10(2)18-4-6-19(7-5-18)14-15-9-11-8-12(20)17(3)13(11)16-14/h9-10H,4-8H2,1-3H3
InChIKey
ZPGUZAWHCJGTQI-UHFFFAOYSA-N
Compound name
7-methyl-2-(4-propan-2-ylpiperazin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.17462 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.181896 169.8
[M+Na]+ 298.163838 177.3
[M-H]- 274.167344 170.3
[M+NH4]+ 293.208443 181.9
[M+K]+ 314.137778 173.0
[M+H-H2O]+ 258.171880 159.2
[M+HCOO]- 320.172821 181.5
[M+CH3COO]- 334.188471 178.9
[M+Na-2H]- 296.149286 169.3
[M]+ 275.17407142 166.9
[M]- 275.17516858 166.9
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.