CID 20351

Brn 0692247

Structural Information

Molecular Formula
C19H23N3O
SMILES
CCN(CC)CCN1C2=CC=CC=C2NC3=CC=CC=C3C1=O
InChI
InChI=1S/C19H23N3O/c1-3-21(4-2)13-14-22-18-12-8-7-11-17(18)20-16-10-6-5-9-15(16)19(22)23/h5-12,20H,3-4,13-14H2,1-2H3
InChIKey
OYMOPEYQIAFWSQ-UHFFFAOYSA-N
Compound name
5-[2-(diethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1841 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.191376 173.6
[M+Na]+ 332.173318 179.5
[M-H]- 308.176824 177.1
[M+NH4]+ 327.217923 186.9
[M+K]+ 348.147258 178.6
[M+H-H2O]+ 292.181360 165.2
[M+HCOO]- 354.182301 190.5
[M+CH3COO]- 368.197951 183.0
[M+Na-2H]- 330.158766 178.7
[M]+ 309.18355142 171.7
[M]- 309.18464858 171.7
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.