CID 206379

49786-56-3

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]+ 328.20195 178.7
[M+Na]+ 350.18389 186.6
[M-H]- 326.18739 185.0
[M+NH4]+ 345.22849 193.4
[M+K]+ 366.15783 182.0
[M+H-H2O]+ 310.19193 169.0
[M+HCOO]- 372.19287 200.0
[M+CH3COO]- 386.20852 215.7
[M+Na-2H]- 348.16934 180.3
[M]+ 327.19412 182.1
[M]- 327.19522 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.