CID 364242

Nsc630146

Structural Information

Molecular Formula
C27H19NO8
SMILES
CN1CC(C(=O)C(=O)C(C1)C(=O)C2C(=O)C3=CC=CC=C3C2=O)C(=O)C4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C27H19NO8/c1-28-10-16(24(33)18-20(29)12-6-2-3-7-13(12)21(18)30)26(35)27(36)17(11-28)25(34)19-22(31)14-8-4-5-9-15(14)23(19)32/h2-9,16-19H,10-11H2,1H3
InChIKey
LZTXEACFJCWWRN-UHFFFAOYSA-N
Compound name
3,6-bis(1,3-dioxoindene-2-carbonyl)-1-methylazepane-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.11105 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.11833 210.4
[M+Na]+ 508.10027 217.1
[M-H]- 484.10377 222.7
[M+NH4]+ 503.14487 220.9
[M+K]+ 524.07421 217.0
[M+H-H2O]+ 468.10831 205.0
[M+HCOO]- 530.10925 224.2
[M+CH3COO]- 544.12490 241.1
[M+Na-2H]- 506.08572 202.4
[M]+ 485.11050 209.5
[M]- 485.11160 209.5
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.