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 181.8
[M-H]- 308.17682 179.4
[M+NH4]+ 327.21792 188.4
[M+K]+ 348.14726 181.9
[M+H-H2O]+ 292.18136 165.5
[M+HCOO]- 354.18230 192.0
[M+CH3COO]- 368.19795 184.5
[M+Na-2H]- 330.15877 177.8
[M]+ 309.18355 174.3
[M]- 309.18465 174.3
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.