CID 3078643

122113-07-9

Structural Information

Molecular Formula
C16H24N6O2
SMILES
CCN(CC)C(=O)N1CCN(CC1)C2=NC=C3CC(=O)N(C3=N2)C
InChI
InChI=1S/C16H24N6O2/c1-4-20(5-2)16(24)22-8-6-21(7-9-22)15-17-11-12-10-13(23)19(3)14(12)18-15/h11H,4-10H2,1-3H3
InChIKey
LPMXXPGJAYATRD-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.19608 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20336 179.9
[M+Na]+ 355.18530 189.7
[M+NH4]+ 350.22990 184.6
[M+K]+ 371.15924 187.1
[M-H]- 331.18880 180.3
[M+Na-2H]- 353.17075 182.4
[M]+ 332.19553 180.9
[M]- 332.19663 180.9
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.