CID 511380

1,5-dibenzylimidazo[4,5-e][1,3]diazepine-4,8-dione

Structural Information

Molecular Formula
C20H16N4O2
SMILES
C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=CN(C3=O)CC4=CC=CC=C4
InChI
InChI=1S/C20H16N4O2/c25-19-18-17(21-13-23(18)11-15-7-3-1-4-8-15)20(26)24(14-22-19)12-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChIKey
UDPUVRFZHUZHET-UHFFFAOYSA-N
Compound name
1,5-dibenzylimidazo[4,5-e][1,3]diazepine-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.12732 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13460 183.7
[M+Na]+ 367.11654 194.5
[M-H]- 343.12004 191.5
[M+NH4]+ 362.16114 193.7
[M+K]+ 383.09048 191.4
[M+H-H2O]+ 327.12458 172.0
[M+HCOO]- 389.12552 203.8
[M+CH3COO]- 403.14117 194.2
[M+Na-2H]- 365.10199 188.0
[M]+ 344.12677 184.7
[M]- 344.12787 184.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.