CID 3079850

Brn 0839503

Structural Information

Molecular Formula
C20H23N3O
SMILES
CN(C)CCCN1C(=O)CC(=NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C20H23N3O/c1-22(2)13-8-14-23-19-12-7-6-11-17(19)21-18(15-20(23)24)16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
InChIKey
GHOXUBCKBWJHMH-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-4-phenyl-3H-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1841 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19138 178.5
[M+Na]+ 344.17332 190.9
[M+NH4]+ 339.21792 185.6
[M+K]+ 360.14726 183.8
[M-H]- 320.17682 182.9
[M+Na-2H]- 342.15877 186.1
[M]+ 321.18355 181.6
[M]- 321.18465 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.