CID 14405

1162-96-5

Structural Information

Molecular Formula
C19H23N3O
SMILES
CC1=CC2=C(C=C1)N(C3=CC=CC=C3C(=O)N2CCN(C)C)C
InChI
InChI=1S/C19H23N3O/c1-14-9-10-17-18(13-14)22(12-11-20(2)3)19(23)15-7-5-6-8-16(15)21(17)4/h5-10,13H,11-12H2,1-4H3
InChIKey
CQMIGEFUGHANLC-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethyl]-3,11-dimethylbenzo[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

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 173.7
[M+Na]+ 332.17332 186.0
[M+NH4]+ 327.21792 181.0
[M+K]+ 348.14726 179.6
[M-H]- 308.17682 176.7
[M+Na-2H]- 330.15877 178.8
[M]+ 309.18355 176.4
[M]- 309.18465 176.4
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.