CID 218468

40678-92-0

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CCCCC1=C(N(C2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C)C)C
InChI
InChI=1S/C19H23N3O2/c1-5-6-12-15-13(2)20(3)17-16(15)18(23)21(4)19(24)22(17)14-10-8-7-9-11-14/h7-11H,5-6,12H2,1-4H3
InChIKey
ZATBNAGZUQROCQ-UHFFFAOYSA-N
Compound name
5-butyl-3,6,7-trimethyl-1-phenylpyrrolo[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.17902 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.186296 178.7
[M+Na]+ 348.168238 192.2
[M-H]- 324.171744 184.2
[M+NH4]+ 343.212843 193.0
[M+K]+ 364.142178 185.7
[M+H-H2O]+ 308.176280 169.6
[M+HCOO]- 370.177221 199.9
[M+CH3COO]- 384.192871 213.3
[M+Na-2H]- 346.153686 180.0
[M]+ 325.17847142 186.1
[M]- 325.17956858 186.1
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.