CID 103285

65151-68-0

Structural Information

Molecular Formula
C37H40N2O4
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C(C3=O)C4=NC5=CC=CC=C5CC4=O
InChI
InChI=1S/C37H40N2O4/c1-2-3-4-5-6-7-8-9-10-11-14-25-17-20-28(21-18-25)38-37(43)27-19-22-29-30(23-27)36(42)33(35(29)41)34-32(40)24-26-15-12-13-16-31(26)39-34/h12-13,15-23,33H,2-11,14,24H2,1H3,(H,38,43)
InChIKey
CYVGSIQWDPIALJ-UHFFFAOYSA-N
Compound name
N-(4-dodecylphenyl)-1,3-dioxo-2-(3-oxo-4H-quinolin-2-yl)indene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.2988 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.30608 248.7
[M+Na]+ 599.28802 251.4
[M-H]- 575.29152 256.7
[M+NH4]+ 594.33262 253.4
[M+K]+ 615.26196 242.9
[M+H-H2O]+ 559.29606 236.0
[M+HCOO]- 621.29700 262.9
[M+CH3COO]- 635.31265 263.2
[M+Na-2H]- 597.27347 242.6
[M]+ 576.29825 252.0
[M]- 576.29935 252.0
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.