CID 3054117

Brn 0553643

Structural Information

Molecular Formula
C18H21N3O
SMILES
CCN1C(=C2C(=NC(=O)N(C2=C1C3=CC=CC=C3)CC)C)C
InChI
InChI=1S/C18H21N3O/c1-5-20-13(4)15-12(3)19-18(22)21(6-2)17(15)16(20)14-10-8-7-9-11-14/h7-11H,5-6H2,1-4H3
InChIKey
GXHCDNVPCRPLBR-UHFFFAOYSA-N
Compound name
1,6-diethyl-4,5-dimethyl-7-phenylpyrrolo[3,4-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.16846 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.175736 171.6
[M+Na]+ 318.157678 184.6
[M-H]- 294.161184 176.9
[M+NH4]+ 313.202283 187.0
[M+K]+ 334.131618 178.3
[M+H-H2O]+ 278.165720 162.5
[M+HCOO]- 340.166661 192.9
[M+CH3COO]- 354.182311 184.2
[M+Na-2H]- 316.143126 174.1
[M]+ 295.16791142 177.6
[M]- 295.16900858 177.6
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.