CID 47691

Brn 0828640

Structural Information

Molecular Formula
C20H25N3O
SMILES
CN(C)CCCN1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C20H25N3O/c1-21(2)13-8-14-22-15-16-23(17-9-4-3-5-10-17)19-12-7-6-11-18(19)20(22)24/h3-7,9-12H,8,13-16H2,1-2H3
InChIKey
WUILTBPSMFETIE-UHFFFAOYSA-N
Compound name
4-[3-(dimethylamino)propyl]-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

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 178.3
[M+Na]+ 346.18899 183.0
[M-H]- 322.19249 184.8
[M+NH4]+ 341.23359 190.3
[M+K]+ 362.16293 183.0
[M+H-H2O]+ 306.19703 168.4
[M+HCOO]- 368.19797 196.3
[M+CH3COO]- 382.21362 187.7
[M+Na-2H]- 344.17444 181.6
[M]+ 323.19922 175.7
[M]- 323.20032 175.7
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.