CID 26943

14870-41-8

Structural Information

Molecular Formula
C19H23N3O
SMILES
CCN(CC)CCN1C2=CC=CC=C2C(=O)NC3=CC=CC=C31
InChI
InChI=1S/C19H23N3O/c1-3-21(4-2)13-14-22-17-11-7-5-9-15(17)19(23)20-16-10-6-8-12-18(16)22/h5-12H,3-4,13-14H2,1-2H3,(H,20,23)
InChIKey
AMORDSNWJXKHMV-UHFFFAOYSA-N
Compound name
11-[2-(diethylamino)ethyl]-5H-benzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 173.3
[M+Na]+ 332.17332 184.5
[M+NH4]+ 327.21792 180.3
[M+K]+ 348.14726 178.0
[M-H]- 308.17682 175.7
[M+Na-2H]- 330.15877 178.3
[M]+ 309.18355 175.6
[M]- 309.18465 175.6
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.