CID 389365

Nsc685411

Structural Information

Molecular Formula
C23H24N2O5
SMILES
CC(=O)NCC1C2C(C3C(O1)COC(O3)C4=CC=CC=C4)N=C(O2)C5=CC=CC=C5
InChI
InChI=1S/C23H24N2O5/c1-14(26)24-12-17-20-19(25-22(29-20)15-8-4-2-5-9-15)21-18(28-17)13-27-23(30-21)16-10-6-3-7-11-16/h2-11,17-21,23H,12-13H2,1H3,(H,24,26)
InChIKey
IJALMPVDHVOPOK-UHFFFAOYSA-N
Compound name
N-[(4,12-diphenyl-5,8,11,13-tetraoxa-3-azatricyclo[7.4.0.02,6]tridec-3-en-7-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.16852 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.17580 197.7
[M+Na]+ 431.15774 202.0
[M-H]- 407.16124 209.0
[M+NH4]+ 426.20234 204.0
[M+K]+ 447.13168 202.1
[M+H-H2O]+ 391.16578 188.2
[M+HCOO]- 453.16672 208.9
[M+CH3COO]- 467.18237 206.0
[M+Na-2H]- 429.14319 199.4
[M]+ 408.16797 197.7
[M]- 408.16907 197.7
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.