CID 47693

Brn 0830970

Structural Information

Molecular Formula
C21H27N3O
SMILES
CCN(CC)CCN1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C21H27N3O/c1-3-22(4-2)14-15-23-16-17-24(18-10-6-5-7-11-18)20-13-9-8-12-19(20)21(23)25/h5-13H,3-4,14-17H2,1-2H3
InChIKey
DUKOQRXNBYNJED-UHFFFAOYSA-N
Compound name
4-[2-(diethylamino)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.21542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 183.9
[M+Na]+ 360.20464 195.3
[M+NH4]+ 355.24924 190.8
[M+K]+ 376.17858 188.2
[M-H]- 336.20814 188.1
[M+Na-2H]- 358.19009 190.5
[M]+ 337.21487 186.7
[M]- 337.21597 186.7
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.