CID 47692

5h-1,4-benzodiazepin-5-one, 1,2,3,4-tetrahydro-4-(2-(dimethylamino)-1-methylethyl)-1-phenyl-

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]+ 324.207046 177.4
[M+Na]+ 346.188988 181.9
[M-H]- 322.192494 184.0
[M+NH4]+ 341.233593 189.4
[M+K]+ 362.162928 182.6
[M+H-H2O]+ 306.197030 167.8
[M+HCOO]- 368.197971 194.5
[M+CH3COO]- 382.213621 186.8
[M+Na-2H]- 344.174436 179.8
[M]+ 323.19922142 174.4
[M]- 323.20031858 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.