CID 479404

8,10-diamino-2-methoxybenzo[h]pyrimido[4,5-b]quinoline

Structural Information

Molecular Formula
C16H13N5O
SMILES
COC1=CC2=C(C=CC3=CC4=C(N=C(N=C4N=C32)N)N)C=C1
InChI
InChI=1S/C16H13N5O/c1-22-10-5-4-8-2-3-9-6-12-14(17)20-16(18)21-15(12)19-13(9)11(8)7-10/h2-7H,1H3,(H4,17,18,19,20,21)
InChIKey
QGTIGYFLARNNAY-UHFFFAOYSA-N
Compound name
4-methoxy-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene-13,15-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.112 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11928 167.2
[M+Na]+ 314.10122 179.5
[M-H]- 290.10472 169.9
[M+NH4]+ 309.14582 181.2
[M+K]+ 330.07516 172.7
[M+H-H2O]+ 274.10926 157.3
[M+HCOO]- 336.11020 186.8
[M+CH3COO]- 350.12585 178.4
[M+Na-2H]- 312.08667 177.7
[M]+ 291.11145 168.9
[M]- 291.11255 168.9
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.