CID 3046043

Brn 0835369

Structural Information

Molecular Formula
C23H28N2O2
SMILES
CCC1(C(=O)N(CCN(C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)CC
InChI
InChI=1S/C23H28N2O2/c1-3-23(4-2)21(26)24(17-19-11-7-5-8-12-19)15-16-25(22(23)27)18-20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3
InChIKey
RKALCGQJLGMWKI-UHFFFAOYSA-N
Compound name
1,4-dibenzyl-6,6-diethyl-1,4-diazepane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2151 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.22238 190.1
[M+Na]+ 387.20432 194.9
[M-H]- 363.20782 197.2
[M+NH4]+ 382.24892 200.7
[M+K]+ 403.17826 193.5
[M+H-H2O]+ 347.21236 179.4
[M+HCOO]- 409.21330 206.0
[M+CH3COO]- 423.22895 217.3
[M+Na-2H]- 385.18977 190.5
[M]+ 364.21455 186.4
[M]- 364.21565 186.4
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.