CID 3768420

1-ethyl-2-imino-10-methyl-3-(1-piperidinylcarbonyl)-1,2-dihydro-5h-dipyrido[1,2-a:2,3-d]pyrimidin-5-one

Structural Information

Molecular Formula
C20H23N5O2
SMILES
CCN1C2=C(C=C(C1=N)C(=O)N3CCCCC3)C(=O)N4C=CC=C(C4=N2)C
InChI
InChI=1S/C20H23N5O2/c1-3-24-16(21)14(19(26)23-9-5-4-6-10-23)12-15-18(24)22-17-13(2)8-7-11-25(17)20(15)27/h7-8,11-12,21H,3-6,9-10H2,1-2H3
InChIKey
CYHZBSXIIMISCK-UHFFFAOYSA-N
Compound name
7-ethyl-6-imino-11-methyl-5-(piperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.18518 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19246 188.1
[M+Na]+ 388.17440 203.7
[M+NH4]+ 383.21900 194.1
[M+K]+ 404.14834 196.0
[M-H]- 364.17790 191.4
[M+Na-2H]- 386.15985 193.9
[M]+ 365.18463 191.1
[M]- 365.18573 191.1
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.