CID 479399

9,11-diamino-2-methoxy-5,6-dihydrobenzo[f]pyrimido[4,5-b]quinoline

Structural Information

Molecular Formula
C16H15N5O
SMILES
COC1=CC2=C(CCC3=C2C=C4C(=NC(=NC4=N3)N)N)C=C1
InChI
InChI=1S/C16H15N5O/c1-22-9-4-2-8-3-5-13-11(10(8)6-9)7-12-14(17)20-16(18)21-15(12)19-13/h2,4,6-7H,3,5H2,1H3,(H4,17,18,19,20,21)
InChIKey
OHBQRYOTRZUNMG-UHFFFAOYSA-N
Compound name
4-methoxy-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,11,13,15,17-octaene-14,16-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.12766 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13494 168.1
[M+Na]+ 316.11688 178.4
[M-H]- 292.12038 170.0
[M+NH4]+ 311.16148 181.8
[M+K]+ 332.09082 172.0
[M+H-H2O]+ 276.12492 158.2
[M+HCOO]- 338.12586 184.9
[M+CH3COO]- 352.14151 178.3
[M+Na-2H]- 314.10233 176.6
[M]+ 293.12711 167.0
[M]- 293.12821 167.0
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.