CID 117644

N-butoxy-4-methoxynaphthoimide

Structural Information

Molecular Formula
C17H17NO4
SMILES
CCCCON1C(=O)C2=C3C(=C(C=C2)OC)C=CC=C3C1=O
InChI
InChI=1S/C17H17NO4/c1-3-4-10-22-18-16(19)12-7-5-6-11-14(21-2)9-8-13(15(11)12)17(18)20/h5-9H,3-4,10H2,1-2H3
InChIKey
AABXRMHVHPQKKP-UHFFFAOYSA-N
Compound name
2-butoxy-6-methoxybenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

299.11575 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.123026 167.8
[M+Na]+ 322.104968 177.0
[M-H]- 298.108474 171.2
[M+NH4]+ 317.149573 184.4
[M+K]+ 338.078908 173.4
[M+H-H2O]+ 282.113010 159.7
[M+HCOO]- 344.113951 186.1
[M+CH3COO]- 358.129601 207.7
[M+Na-2H]- 320.090416 173.1
[M]+ 299.11520142 173.7
[M]- 299.11629858 173.7
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