CID 9181

Benz[c]acridine

Structural Information

Molecular Formula
C17H11N
SMILES
C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4N=C32
InChI
InChI=1S/C17H11N/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)18-17(14)15/h1-11H
InChIKey
OAPPEBNXKAKQGS-UHFFFAOYSA-N
Compound name
benzo[c]acridine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

45
References

428
Patents

229.08914 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.096416 148.1
[M+Na]+ 252.078358 159.0
[M-H]- 228.081864 153.5
[M+NH4]+ 247.122963 167.8
[M+K]+ 268.052298 152.3
[M+H-H2O]+ 212.086400 139.6
[M+HCOO]- 274.087341 169.3
[M+CH3COO]- 288.102991 161.3
[M+Na-2H]- 250.063806 160.8
[M]+ 229.08859142 149.3
[M]- 229.08968858 149.3
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