CID 1107054

42340-37-4

Structural Information

Molecular Formula
C20H13N3O5
SMILES
CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O
InChI
InChI=1S/C20H13N3O5/c1-11(24)21-12-5-7-13(8-6-12)22-19(25)15-4-2-3-14-17(23(27)28)10-9-16(18(14)15)20(22)26/h2-10H,1H3,(H,21,24)
InChIKey
MUXUDKOBLXKSNI-UHFFFAOYSA-N
Compound name
N-[4-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.0855 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.09278 183.3
[M+Na]+ 398.07472 189.5
[M-H]- 374.07822 189.8
[M+NH4]+ 393.11932 194.3
[M+K]+ 414.04866 181.2
[M+H-H2O]+ 358.08276 177.7
[M+HCOO]- 420.08370 202.3
[M+CH3COO]- 434.09935 217.7
[M+Na-2H]- 396.06017 190.2
[M]+ 375.08495 182.9
[M]- 375.08605 182.9
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

No patent data available for this compound.