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 177.4
[M+Na]+ 346.18899 181.9
[M-H]- 322.19249 184.0
[M+NH4]+ 341.23359 189.4
[M+K]+ 362.16293 182.6
[M+H-H2O]+ 306.19703 167.8
[M+HCOO]- 368.19797 194.5
[M+CH3COO]- 382.21362 186.8
[M+Na-2H]- 344.17444 179.8
[M]+ 323.19922 174.4
[M]- 323.20032 174.4
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.