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 182.8
[M+Na]+ 355.18530 188.9
[M-H]- 331.18880 184.6
[M+NH4]+ 350.22990 192.8
[M+K]+ 371.15924 185.5
[M+H-H2O]+ 315.19334 171.6
[M+HCOO]- 377.19428 195.8
[M+CH3COO]- 391.20993 215.9
[M+Na-2H]- 353.17075 181.8
[M]+ 332.19553 181.7
[M]- 332.19663 181.7
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.