CID 706411

1-allyl-n-ethyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Structural Information

Molecular Formula
C18H19N5O2
SMILES
CCNC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CC=C
InChI
InChI=1S/C18H19N5O2/c1-4-8-22-14(19)12(17(24)20-5-2)10-13-16(22)21-15-11(3)7-6-9-23(15)18(13)25/h4,6-7,9-10,19H,1,5,8H2,2-3H3,(H,20,24)
InChIKey
HJTQAHLZCKBAEB-UHFFFAOYSA-N
Compound name
N-ethyl-6-imino-11-methyl-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

337.15387 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16115 181.5
[M+Na]+ 360.14309 193.0
[M-H]- 336.14659 184.1
[M+NH4]+ 355.18769 193.3
[M+K]+ 376.11703 186.0
[M+H-H2O]+ 320.15113 171.8
[M+HCOO]- 382.15207 201.8
[M+CH3COO]- 396.16772 220.3
[M+Na-2H]- 358.12854 187.7
[M]+ 337.15332 185.2
[M]- 337.15442 185.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.