CID 481462

Schembl5862719

Structural Information

Molecular Formula
C23H19N5
SMILES
C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2CC4=CC5=C(C=C4)N=C(N=C5N)N
InChI
InChI=1S/C23H19N5/c24-22-18-13-15(9-12-19(18)26-23(25)27-22)14-28-20-7-3-1-5-16(20)10-11-17-6-2-4-8-21(17)28/h1-13H,14H2,(H4,24,25,26,27)
InChIKey
WOZVPYWISJUCBD-UHFFFAOYSA-N
Compound name
6-(benzo[b][1]benzazepin-11-ylmethyl)quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 192.5
[M+Na]+ 388.15325 202.2
[M-H]- 364.15675 198.9
[M+NH4]+ 383.19785 202.7
[M+K]+ 404.12719 197.9
[M+H-H2O]+ 348.16129 181.9
[M+HCOO]- 410.16223 209.4
[M+CH3COO]- 424.17788 201.2
[M+Na-2H]- 386.13870 200.1
[M]+ 365.16348 188.7
[M]- 365.16458 188.7
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.