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]+ 276.18190 169.8
[M+Na]+ 298.16384 177.3
[M-H]- 274.16734 170.3
[M+NH4]+ 293.20844 181.9
[M+K]+ 314.13778 173.0
[M+H-H2O]+ 258.17188 159.2
[M+HCOO]- 320.17282 181.5
[M+CH3COO]- 334.18847 178.9
[M+Na-2H]- 296.14929 169.3
[M]+ 275.17407 166.9
[M]- 275.17517 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.