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
2
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]+ 459.133926 209.3
[M+Na]+ 481.115868 218.9
[M-H]- 457.119374 217.1
[M+NH4]+ 476.160473 218.5
[M+K]+ 497.089808 211.0
[M+H-H2O]+ 441.123910 196.8
[M+HCOO]- 503.124851 224.1
[M+CH3COO]- 517.140501 217.2
[M+Na-2H]- 479.101316 214.5
[M]+ 458.12610142 210.6
[M]- 458.12719858 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