CID 154699502

Ns00117265

Structural Information

Molecular Formula
C21H17NO4
SMILES
CC(=O)N(C1C=CC2=C3C1C=CC=C3C(=O)C4=CC=CC=C24)OC(=O)C
InChI
InChI=1S/C21H17NO4/c1-12(23)22(26-13(2)24)19-11-10-15-14-6-3-4-7-16(14)21(25)18-9-5-8-17(19)20(15)18/h3-11,17,19H,1-2H3
InChIKey
BBONYHUTYYCQRI-UHFFFAOYSA-N
Compound name
[acetyl-(7-oxo-3,3a-dihydrobenzo[a]phenalen-3-yl)amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.11575 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12303 178.1
[M+Na]+ 370.10497 184.5
[M-H]- 346.10847 184.4
[M+NH4]+ 365.14957 194.4
[M+K]+ 386.07891 181.7
[M+H-H2O]+ 330.11301 169.5
[M+HCOO]- 392.11395 195.4
[M+CH3COO]- 406.12960 221.2
[M+Na-2H]- 368.09042 182.5
[M]+ 347.11520 181.2
[M]- 347.11630 181.2
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

No patent data available for this compound.