CID 479401

5,6-dihydrobenzo[h]pyrimido[4,5-b]quinoline-8,10-diamine

Structural Information

Molecular Formula
C15H13N5
SMILES
C1CC2=CC3=C(N=C(N=C3N=C2C4=CC=CC=C41)N)N
InChI
InChI=1S/C15H13N5/c16-13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)18-14(11)20-15(17)19-13/h1-4,7H,5-6H2,(H4,16,17,18,19,20)
InChIKey
BRSFOLLNJRTNRA-UHFFFAOYSA-N
Compound name
14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaene-13,15-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1171 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12438 159.0
[M+Na]+ 286.10632 169.1
[M-H]- 262.10982 160.7
[M+NH4]+ 281.15092 173.8
[M+K]+ 302.08026 162.1
[M+H-H2O]+ 246.11436 149.3
[M+HCOO]- 308.11530 176.1
[M+CH3COO]- 322.13095 169.5
[M+Na-2H]- 284.09177 168.8
[M]+ 263.11655 155.8
[M]- 263.11765 155.8
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.