CID 457305

9,11-diaminobenzo[f]pyrimido[4,5-b]quinoline

Structural Information

Molecular Formula
C15H11N5
SMILES
C1=CC=C2C(=C1)C=CC3=NC4=NC(=NC(=C4C=C32)N)N
InChI
InChI=1S/C15H11N5/c16-13-11-7-10-9-4-2-1-3-8(9)5-6-12(10)18-14(11)20-15(17)19-13/h1-7H,(H4,16,17,18,19,20)
InChIKey
GLFFNPISHNESGD-UHFFFAOYSA-N
Compound name
11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-14,16-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.10144 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10872 157.9
[M+Na]+ 284.09066 170.1
[M-H]- 260.09416 160.5
[M+NH4]+ 279.13526 173.0
[M+K]+ 300.06460 162.7
[M+H-H2O]+ 244.09870 148.4
[M+HCOO]- 306.09964 177.9
[M+CH3COO]- 320.11529 169.5
[M+Na-2H]- 282.07611 169.8
[M]+ 261.10089 157.6
[M]- 261.10199 157.6
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.