CID 479342

8-hexyl-10b-hydroindolino[1,2-a]pyridino[4,3-d]pyrimidine-6,11-dione

Structural Information

Molecular Formula
C20H19N3O2
SMILES
CCCCCCC1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=NC=C4)C2=O
InChI
InChI=1S/C20H19N3O2/c1-2-3-4-5-6-13-7-8-17-14(11-13)18(24)19-22-16-9-10-21-12-15(16)20(25)23(17)19/h7-12H,2-6H2,1H3
InChIKey
OVWNEDWPJKQHSJ-UHFFFAOYSA-N
Compound name
14-hexyl-2,6,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.14774 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 181.7
[M+Na]+ 356.13696 192.9
[M-H]- 332.14046 184.5
[M+NH4]+ 351.18156 196.7
[M+K]+ 372.11090 185.7
[M+H-H2O]+ 316.14500 171.9
[M+HCOO]- 378.14594 199.0
[M+CH3COO]- 392.16159 192.3
[M+Na-2H]- 354.12241 186.0
[M]+ 333.14719 186.9
[M]- 333.14829 186.9
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.