CID 20221

4231-97-4

Structural Information

Molecular Formula
C20H25N3O
SMILES
CCN(CC)CCCN1C2=CC=CC=C2NC3=CC=CC=C3C1=O
InChI
InChI=1S/C20H25N3O/c1-3-22(4-2)14-9-15-23-19-13-8-7-12-18(19)21-17-11-6-5-10-16(17)20(23)24/h5-8,10-13,21H,3-4,9,14-15H2,1-2H3
InChIKey
OJTXPGCWXBTARX-UHFFFAOYSA-N
Compound name
5-[3-(diethylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 177.6
[M+Na]+ 346.18899 188.6
[M+NH4]+ 341.23359 184.5
[M+K]+ 362.16293 181.9
[M-H]- 322.19249 180.0
[M+Na-2H]- 344.17444 182.4
[M]+ 323.19922 179.9
[M]- 323.20032 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.