CID 479341

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

Structural Information

Molecular Formula
C18H15N3O2
SMILES
CCCCC1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=NC=C4)C2=O
InChI
InChI=1S/C18H15N3O2/c1-2-3-4-11-5-6-15-12(9-11)16(22)17-20-14-7-8-19-10-13(14)18(23)21(15)17/h5-10H,2-4H2,1H3
InChIKey
UXSAXKGDSLMDIQ-UHFFFAOYSA-N
Compound name
14-butyl-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

305.11642 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12370 172.5
[M+Na]+ 328.10564 184.7
[M-H]- 304.10914 175.6
[M+NH4]+ 323.15024 188.6
[M+K]+ 344.07958 177.8
[M+H-H2O]+ 288.11368 163.1
[M+HCOO]- 350.11462 190.5
[M+CH3COO]- 364.13027 184.0
[M+Na-2H]- 326.09109 177.9
[M]+ 305.11587 177.1
[M]- 305.11697 177.1
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.