CID 3041225

53681-01-9

Structural Information

Molecular Formula
C11H15N3O2
SMILES
CCN1C2=C(C=CN2C)C(=O)N(C1=O)CC
InChI
InChI=1S/C11H15N3O2/c1-4-13-9-8(6-7-12(9)3)10(15)14(5-2)11(13)16/h6-7H,4-5H2,1-3H3
InChIKey
DSQGUESQOLYNPR-UHFFFAOYSA-N
Compound name
1,3-diethyl-7-methylpyrrolo[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 146.4
[M+Na]+ 244.10564 160.5
[M-H]- 220.10914 148.8
[M+NH4]+ 239.15024 165.1
[M+K]+ 260.07958 156.6
[M+H-H2O]+ 204.11368 139.3
[M+HCOO]- 266.11462 169.2
[M+CH3COO]- 280.13027 191.1
[M+Na-2H]- 242.09109 151.3
[M]+ 221.11587 153.0
[M]- 221.11697 153.0
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.