CID 9926586

345630-40-2

Structural Information

Molecular Formula
C19H17NO3
SMILES
CC(C)(C)C(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)C2=O
InChI
InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
InChIKey
VZQDDSYKVYARDW-UHFFFAOYSA-N
Compound name
N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

195
Patents

307.12085 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 169.9
[M+Na]+ 330.11007 178.2
[M-H]- 306.11357 175.5
[M+NH4]+ 325.15467 186.9
[M+K]+ 346.08401 174.0
[M+H-H2O]+ 290.11811 163.1
[M+HCOO]- 352.11905 188.7
[M+CH3COO]- 366.13470 210.4
[M+Na-2H]- 328.09552 175.7
[M]+ 307.12030 171.1
[M]- 307.12140 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe