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]+ 310.19138 173.6
[M+Na]+ 332.17332 179.5
[M-H]- 308.17682 177.1
[M+NH4]+ 327.21792 186.9
[M+K]+ 348.14726 178.6
[M+H-H2O]+ 292.18136 165.2
[M+HCOO]- 354.18230 190.5
[M+CH3COO]- 368.19795 183.0
[M+Na-2H]- 330.15877 178.7
[M]+ 309.18355 171.7
[M]- 309.18465 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.