CID 9178

Dibenz[c,h]acridine

Structural Information

Molecular Formula
C21H13N
SMILES
C1=CC=C2C(=C1)C=CC3=C2N=C4C(=C3)C=CC5=CC=CC=C54
InChI
InChI=1S/C21H13N/c1-3-7-18-14(5-1)9-11-16-13-17-12-10-15-6-2-4-8-19(15)21(17)22-20(16)18/h1-13H
InChIKey
BTVBCAKHMZHLFR-UHFFFAOYSA-N
Compound name
2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

319
Patents

279.1048 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11208 163.9
[M+Na]+ 302.09402 186.0
[M+NH4]+ 297.13862 176.5
[M+K]+ 318.06796 173.0
[M-H]- 278.09752 171.5
[M+Na-2H]- 300.07947 175.6
[M]+ 279.10425 170.0
[M]- 279.10535 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe