CID 6338437

3,4-dibenzyl-2-boranyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione

Structural Information

Molecular Formula
C20H17BN4O2
SMILES
[B]C1=NC2=C(N1CC3=CC=CC=C3)N(C(=O)CNC2=O)CC4=CC=CC=C4
InChI
InChI=1S/C20H17BN4O2/c21-20-23-17-18(27)22-11-16(26)24(12-14-7-3-1-4-8-14)19(17)25(20)13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,22,27)
InChIKey
HZPFWNZXUIDURN-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.14447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15175 188.2
[M+Na]+ 379.13369 196.1
[M-H]- 355.13719 193.9
[M+NH4]+ 374.17829 196.9
[M+K]+ 395.10763 192.6
[M+H-H2O]+ 339.14173 176.4
[M+HCOO]- 401.14267 202.7
[M+CH3COO]- 415.15832 196.6
[M+Na-2H]- 377.11914 188.4
[M]+ 356.14392 184.3
[M]- 356.14502 184.3
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.