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]+ 324.207046 178.3
[M+Na]+ 346.188988 183.0
[M-H]- 322.192494 184.8
[M+NH4]+ 341.233593 190.3
[M+K]+ 362.162928 183.0
[M+H-H2O]+ 306.197030 168.4
[M+HCOO]- 368.197971 196.3
[M+CH3COO]- 382.213621 187.7
[M+Na-2H]- 344.174436 181.6
[M]+ 323.19922142 175.7
[M]- 323.20031858 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.