CID 3043225

Brn 0654838

Structural Information

Molecular Formula
C11H15N3O2
SMILES
CCCCN1C(=O)C2=C(C=CN2)N(C1=O)C
InChI
InChI=1S/C11H15N3O2/c1-3-4-7-14-10(15)9-8(5-6-12-9)13(2)11(14)16/h5-6,12H,3-4,7H2,1-2H3
InChIKey
VJIYSQDBLOUIID-UHFFFAOYSA-N
Compound name
3-butyl-1-methyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 147.5
[M+Na]+ 244.10564 160.2
[M-H]- 220.10914 148.1
[M+NH4]+ 239.15024 165.1
[M+K]+ 260.07958 155.4
[M+H-H2O]+ 204.11368 140.3
[M+HCOO]- 266.11462 168.7
[M+CH3COO]- 280.13027 187.4
[M+Na-2H]- 242.09109 152.6
[M]+ 221.11587 151.8
[M]- 221.11697 151.8
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.