CID 1726596

Hexyl 2-(1-naphthyl)-1,3-dioxoisoindoline-5-carboxylate

Structural Information

Molecular Formula
C25H23NO4
SMILES
CCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C25H23NO4/c1-2-3-4-7-15-30-25(29)18-13-14-20-21(16-18)24(28)26(23(20)27)22-12-8-10-17-9-5-6-11-19(17)22/h5-6,8-14,16H,2-4,7,15H2,1H3
InChIKey
ZTRJBLMDMHAVMM-UHFFFAOYSA-N
Compound name
hexyl 2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.16272 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17000 198.6
[M+Na]+ 424.15194 206.2
[M-H]- 400.15544 205.5
[M+NH4]+ 419.19654 211.8
[M+K]+ 440.12588 200.1
[M+H-H2O]+ 384.15998 189.2
[M+HCOO]- 446.16092 216.6
[M+CH3COO]- 460.17657 225.1
[M+Na-2H]- 422.13739 198.3
[M]+ 401.16217 203.2
[M]- 401.16327 203.2
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.