CID 47692

Brn 0828963

Structural Information

Molecular Formula
C20H25N3O
SMILES
CC(CN(C)C)N1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C20H25N3O/c1-16(15-21(2)3)22-13-14-23(17-9-5-4-6-10-17)19-12-8-7-11-18(19)20(22)24/h4-12,16H,13-15H2,1-3H3
InChIKey
WXTJBKDLQKUHJN-UHFFFAOYSA-N
Compound name
4-[1-(dimethylamino)propan-2-yl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.19977 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 178.7
[M+Na]+ 346.18899 190.0
[M+NH4]+ 341.23359 185.7
[M+K]+ 362.16293 183.9
[M-H]- 322.19249 182.8
[M+Na-2H]- 344.17444 185.3
[M]+ 323.19922 181.5
[M]- 323.20032 181.5
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.