CID 11659534

Chembl436769

Structural Information

Molecular Formula
C19H21N3O
SMILES
CCN(CC)C1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C19H21N3O/c1-3-22(4-2)18-19(23)20-16-13-9-8-12-15(16)17(21-18)14-10-6-5-7-11-14/h5-13,18H,3-4H2,1-2H3,(H,20,23)
InChIKey
OJSRVTPDSDATOH-UHFFFAOYSA-N
Compound name
3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.16846 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17574 173.6
[M+Na]+ 330.15768 179.4
[M-H]- 306.16118 179.5
[M+NH4]+ 325.20228 185.7
[M+K]+ 346.13162 178.9
[M+H-H2O]+ 290.16572 164.5
[M+HCOO]- 352.16666 192.0
[M+CH3COO]- 366.18231 183.4
[M+Na-2H]- 328.14313 178.0
[M]+ 307.16791 170.5
[M]- 307.16901 170.5
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.