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 181.7
[M+Na]+ 359.17300 187.4
[M-H]- 335.17650 189.2
[M+NH4]+ 354.21760 193.5
[M+K]+ 375.14694 186.4
[M+H-H2O]+ 319.18104 171.5
[M+HCOO]- 381.18198 198.3
[M+CH3COO]- 395.19763 190.9
[M+Na-2H]- 357.15845 183.1
[M]+ 336.18323 177.4
[M]- 336.18433 177.4
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.