CID 481463

Schembl5860440

Structural Information

Molecular Formula
C23H19N5
SMILES
C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)NC4=CC5=C(C=C4)N=C(N=C5N)N
InChI
InChI=1S/C23H19N5/c24-22-19-13-16(11-12-20(19)27-23(25)28-22)26-21-17-7-3-1-5-14(17)9-10-15-6-2-4-8-18(15)21/h1-13,21,26H,(H4,24,25,27,28)
InChIKey
OFJSWCYEURRXNG-UHFFFAOYSA-N
Compound name
6-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)quinazoline-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

365.16403 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17131 189.7
[M+Na]+ 388.15325 198.5
[M-H]- 364.15675 197.5
[M+NH4]+ 383.19785 201.0
[M+K]+ 404.12719 195.2
[M+H-H2O]+ 348.16129 180.2
[M+HCOO]- 410.16223 208.9
[M+CH3COO]- 424.17788 198.8
[M+Na-2H]- 386.13870 198.1
[M]+ 365.16348 185.1
[M]- 365.16458 185.1
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.