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 177.6
[M+Na]+ 344.17332 183.4
[M-H]- 320.17682 184.5
[M+NH4]+ 339.21792 189.8
[M+K]+ 360.14726 183.3
[M+H-H2O]+ 304.18136 167.9
[M+HCOO]- 366.18230 197.0
[M+CH3COO]- 380.19795 187.5
[M+Na-2H]- 342.15877 181.9
[M]+ 321.18355 176.4
[M]- 321.18465 176.4
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

patents stripe