CID 20781480

105043-55-8

Structural Information

Molecular Formula
C29H18N2O4
SMILES
CC1=CC(=CC=C1)C(=O)NC2=C3C(=C4C(=C2)C(=O)C5=CC=CC=C5N4)C(=O)C6=CC=CC=C6C3=O
InChI
InChI=1S/C29H18N2O4/c1-15-7-6-8-16(13-15)29(35)31-22-14-20-25(30-21-12-5-4-11-19(21)26(20)32)24-23(22)27(33)17-9-2-3-10-18(17)28(24)34/h2-14H,1H3,(H,30,32)(H,31,35)
InChIKey
ZFYQNGKMGOSUBA-UHFFFAOYSA-N
Compound name
3-methyl-N-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

458.12665 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.13393 209.3
[M+Na]+ 481.11587 218.9
[M-H]- 457.11937 217.1
[M+NH4]+ 476.16047 218.5
[M+K]+ 497.08981 211.0
[M+H-H2O]+ 441.12391 196.8
[M+HCOO]- 503.12485 224.1
[M+CH3COO]- 517.14050 217.2
[M+Na-2H]- 479.10132 214.5
[M]+ 458.12610 210.6
[M]- 458.12720 210.6
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