CID 11971387

95035-89-5

Structural Information

Molecular Formula
C21H24N2O2
SMILES
CCC1(C(=O)N(CCN(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CC
InChI
InChI=1S/C21H24N2O2/c1-3-21(4-2)19(24)22(17-11-7-5-8-12-17)15-16-23(20(21)25)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKey
RBZVBMRMJZBRGK-UHFFFAOYSA-N
Compound name
6,6-diethyl-1,4-diphenyl-1,4-diazepane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18378 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 182.6
[M+Na]+ 359.17300 195.1
[M+NH4]+ 354.21760 190.2
[M+K]+ 375.14694 186.6
[M-H]- 335.17650 187.0
[M+Na-2H]- 357.15845 191.6
[M]+ 336.18323 185.9
[M]- 336.18433 185.9
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.