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]+ 366.192456 191.1
[M+Na]+ 388.174398 200.4
[M-H]- 364.177904 194.3
[M+NH4]+ 383.219003 199.7
[M+K]+ 404.148338 193.0
[M+H-H2O]+ 348.182440 179.1
[M+HCOO]- 410.183381 204.9
[M+CH3COO]- 424.199031 199.4
[M+Na-2H]- 386.159846 194.9
[M]+ 365.18463142 190.2
[M]- 365.18572858 190.2
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.