CID 373374

Nsc649587

Structural Information

Molecular Formula
C30H25NO7
SMILES
CC1(CC(=O)C(C(=O)C1C(=O)C(=O)NC2=CC=CC3=C2C=C(C=C3)O)CC4C(=O)C5=CC=CC=C5C4=O)C
InChI
InChI=1S/C30H25NO7/c1-30(2)14-23(33)20(13-21-25(34)17-7-3-4-8-18(17)26(21)35)27(36)24(30)28(37)29(38)31-22-9-5-6-15-10-11-16(32)12-19(15)22/h3-12,20-21,24,32H,13-14H2,1-2H3,(H,31,38)
InChIKey
KBLDJIBQZZQFFC-UHFFFAOYSA-N
Compound name
2-[5-[(1,3-dioxoinden-2-yl)methyl]-2,2-dimethyl-4,6-dioxocyclohexyl]-N-(7-hydroxynaphthalen-1-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.16312 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.17040 218.5
[M+Na]+ 534.15234 224.6
[M-H]- 510.15584 228.4
[M+NH4]+ 529.19694 228.8
[M+K]+ 550.12628 220.0
[M+H-H2O]+ 494.16038 209.9
[M+HCOO]- 556.16132 232.0
[M+CH3COO]- 570.17697 248.9
[M+Na-2H]- 532.13779 214.4
[M]+ 511.16257 218.8
[M]- 511.16367 218.8
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.