CID 198466

Lunarine hydrochloride

Structural Information

Molecular Formula
C25H31N3O4
SMILES
C\1CC2C(=C3C=CC(=O)C=C3O2)CCC(=O)NCC4CC(C=C4)NCC(=O)CNC/C=C1
InChI
InChI=1S/C25H31N3O4/c29-19-7-8-22-21-9-10-25(31)28-14-17-5-6-18(12-17)27-16-20(30)15-26-11-3-1-2-4-23(21)32-24(22)13-19/h1,3,5-8,13,17-18,23,26-27H,2,4,9-12,14-16H2,(H,28,31)/b3-1+
InChIKey
FRLZBSINFWRYRE-HNQUOIGGSA-N
Compound name
(18E)-14-oxa-3,21,25-triazatetracyclo[24.2.1.07,15.08,13]nonacosa-7,9,12,18,27-pentaene-4,11,23-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.23145 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.23873 201.1
[M+Na]+ 460.22067 208.8
[M+NH4]+ 455.26527 205.3
[M+K]+ 476.19461 207.2
[M-H]- 436.22417 202.6
[M+Na-2H]- 458.20612 199.4
[M]+ 437.23090 201.7
[M]- 437.23200 201.7
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.