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]+ 326.18630 178.7
[M+Na]+ 348.16824 192.2
[M-H]- 324.17174 184.2
[M+NH4]+ 343.21284 193.0
[M+K]+ 364.14218 185.7
[M+H-H2O]+ 308.17628 169.6
[M+HCOO]- 370.17722 199.9
[M+CH3COO]- 384.19287 213.3
[M+Na-2H]- 346.15369 180.0
[M]+ 325.17847 186.1
[M]- 325.17957 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.