CID 11971388

95035-90-8

Structural Information

Molecular Formula
C24H30N2O2
SMILES
CCC1(C(=O)N(CCN(C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)C(C)C
InChI
InChI=1S/C24H30N2O2/c1-4-24(19(2)3)22(27)25(17-20-11-7-5-8-12-20)15-16-26(23(24)28)18-21-13-9-6-10-14-21/h5-14,19H,4,15-18H2,1-3H3
InChIKey
VNJRLBGLDNKTQN-UHFFFAOYSA-N
Compound name
1,4-dibenzyl-6-ethyl-6-propan-2-yl-1,4-diazepane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.23074 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.238016 193.0
[M+Na]+ 401.219958 197.2
[M-H]- 377.223464 200.1
[M+NH4]+ 396.264563 203.1
[M+K]+ 417.193898 196.2
[M+H-H2O]+ 361.228000 182.5
[M+HCOO]- 423.228941 207.7
[M+CH3COO]- 437.244591 220.9
[M+Na-2H]- 399.205406 192.1
[M]+ 378.23019142 189.2
[M]- 378.23128858 189.2
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.