CID 154699833

Ns00117563

Structural Information

Molecular Formula
C19H15NO6S
SMILES
CC(=O)N(C1C=CC2=C3C1C=CC=C3C(=O)C4=CC=CC=C24)OS(=O)(=O)O
InChI
InChI=1S/C19H15NO6S/c1-11(21)20(26-27(23,24)25)17-10-9-13-12-5-2-3-6-14(12)19(22)16-8-4-7-15(17)18(13)16/h2-10,15,17H,1H3,(H,23,24,25)
InChIKey
NZSGZHDOQBDCEL-UHFFFAOYSA-N
Compound name
[acetyl-(7-oxo-3,3a-dihydrobenzo[a]phenalen-3-yl)amino] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.062 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.06928 181.5
[M+Na]+ 408.05122 188.1
[M-H]- 384.05472 186.2
[M+NH4]+ 403.09582 195.8
[M+K]+ 424.02516 185.7
[M+H-H2O]+ 368.05926 174.4
[M+HCOO]- 430.06020 192.9
[M+CH3COO]- 444.07585 221.3
[M+Na-2H]- 406.03667 188.7
[M]+ 385.06145 187.5
[M]- 385.06255 187.5
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.