CID 47690

65647-11-2

Structural Information

Molecular Formula
C19H23N3O
SMILES
CN(C)CCN1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C19H23N3O/c1-20(2)12-13-21-14-15-22(16-8-4-3-5-9-16)18-11-7-6-10-17(18)19(21)23/h3-11H,12-15H2,1-2H3
InChIKey
NVEYRGKNUKKVBD-UHFFFAOYSA-N
Compound name
4-[2-(dimethylamino)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

309.1841 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 175.3
[M+Na]+ 332.17332 187.0
[M+NH4]+ 327.21792 182.5
[M+K]+ 348.14726 180.4
[M-H]- 308.17682 179.5
[M+Na-2H]- 330.15877 182.4
[M]+ 309.18355 178.2
[M]- 309.18465 178.2
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.