CID 206379

Brn 0710119

Structural Information

Molecular Formula
C19H25N3O2
SMILES
CCN(CC)CCN1C2=C(CCC2)C(=O)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C19H25N3O2/c1-3-20(4-2)13-14-21-17-12-8-11-16(17)18(23)22(19(21)24)15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3
InChIKey
DTHBVEYHUBAOSE-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.19467 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.201946 178.7
[M+Na]+ 350.183888 186.6
[M-H]- 326.187394 185.0
[M+NH4]+ 345.228493 193.4
[M+K]+ 366.157828 182.0
[M+H-H2O]+ 310.191930 169.0
[M+HCOO]- 372.192871 200.0
[M+CH3COO]- 386.208521 215.7
[M+Na-2H]- 348.169336 180.3
[M]+ 327.19412142 182.1
[M]- 327.19521858 182.1
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.