CID 369640

Nsc641595

Structural Information

Molecular Formula
C21H15NO4
SMILES
CC1=CC=CC=C1NC(=O)C2=C(OC3=C2C(=O)C4=CC=CC=C4C3=O)C
InChI
InChI=1S/C21H15NO4/c1-11-7-3-6-10-15(11)22-21(25)16-12(2)26-20-17(16)18(23)13-8-4-5-9-14(13)19(20)24/h3-10H,1-2H3,(H,22,25)
InChIKey
GXUFIMIBJLPYBK-UHFFFAOYSA-N
Compound name
2-methyl-N-(2-methylphenyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1001 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10738 179.4
[M+Na]+ 368.08932 189.3
[M-H]- 344.09282 189.7
[M+NH4]+ 363.13392 195.2
[M+K]+ 384.06326 185.4
[M+H-H2O]+ 328.09736 172.0
[M+HCOO]- 390.09830 200.4
[M+CH3COO]- 404.11395 191.6
[M+Na-2H]- 366.07477 182.0
[M]+ 345.09955 183.0
[M]- 345.10065 183.0
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

No patent data available for this compound.