CID 66489

Einecs 201-373-4

Structural Information

Molecular Formula
C21H12N2O3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=C4C(=C3C2=O)NC5=CC=CC=C5C4=O)N
InChI
InChI=1S/C21H12N2O3/c22-14-9-13-18(23-15-8-4-3-7-12(15)19(13)24)17-16(14)20(25)10-5-1-2-6-11(10)21(17)26/h1-9H,22H2,(H,23,24)
InChIKey
FLAHKOFOWMLBFH-UHFFFAOYSA-N
Compound name
6-amino-13H-naphtho[2,3-c]acridine-5,8,14-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

340.08478 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09206 176.3
[M+Na]+ 363.07400 188.7
[M-H]- 339.07750 181.6
[M+NH4]+ 358.11860 191.4
[M+K]+ 379.04794 180.8
[M+H-H2O]+ 323.08204 166.8
[M+HCOO]- 385.08298 193.6
[M+CH3COO]- 399.09863 187.2
[M+Na-2H]- 361.05945 184.4
[M]+ 340.08423 177.0
[M]- 340.08533 177.0
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

patents stripe