CID 9180

Benz[a]acridine

Structural Information

Molecular Formula
C17H11N
SMILES
C1=CC=C2C(=C1)C=CC3=NC4=CC=CC=C4C=C32
InChI
InChI=1S/C17H11N/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17/h1-11H
InChIKey
JEGZRTMZYUDVBF-UHFFFAOYSA-N
Compound name
benzo[a]acridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

1905
Patents

229.08914 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09642 149.4
[M+Na]+ 252.07836 169.3
[M+NH4]+ 247.12296 161.6
[M+K]+ 268.05230 157.9
[M-H]- 228.08186 155.8
[M+Na-2H]- 250.06381 160.6
[M]+ 229.08859 154.6
[M]- 229.08969 154.6
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