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]+ 310.191376 173.7
[M+Na]+ 332.173318 181.8
[M-H]- 308.176824 179.4
[M+NH4]+ 327.217923 188.4
[M+K]+ 348.147258 181.9
[M+H-H2O]+ 292.181360 165.5
[M+HCOO]- 354.182301 192.0
[M+CH3COO]- 368.197951 184.5
[M+Na-2H]- 330.158766 177.8
[M]+ 309.18355142 174.3
[M]- 309.18464858 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.