CID 11954380

Pd077611

Structural Information

Molecular Formula
C20H15N3O6
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)[N+](=O)[O-])O
InChI
InChI=1S/C20H15N3O6/c1-2-20(26)13-7-15-16-11(8-22(15)18(24)12(13)9-29-19(20)25)17(23(27)28)10-5-3-4-6-14(10)21-16/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1
InChIKey
GXSOIDVPIMWEQT-FQEVSTJZSA-N
Compound name
(19S)-19-ethyl-19-hydroxy-10-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.0961 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.10338 186.5
[M+Na]+ 416.08532 195.6
[M-H]- 392.08882 191.1
[M+NH4]+ 411.12992 199.6
[M+K]+ 432.05926 187.4
[M+H-H2O]+ 376.09336 181.6
[M+HCOO]- 438.09430 200.0
[M+CH3COO]- 452.10995 216.0
[M+Na-2H]- 414.07077 195.0
[M]+ 393.09555 188.4
[M]- 393.09665 188.4
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.