CID 15473

1668-73-1

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CN1C2=C(C=C(C=C2)OC)C(=O)N(C3=CC=CC=C31)CCN(C)C
InChI
InChI=1S/C19H23N3O2/c1-20(2)11-12-22-18-8-6-5-7-17(18)21(3)16-10-9-14(24-4)13-15(16)19(22)23/h5-10,13H,11-12H2,1-4H3
InChIKey
IGSLJBZRGKXPSB-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethyl]-8-methoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.17902 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.186296 176.9
[M+Na]+ 348.168238 184.8
[M-H]- 324.171744 182.5
[M+NH4]+ 343.212843 190.8
[M+K]+ 364.142178 185.6
[M+H-H2O]+ 308.176280 168.4
[M+HCOO]- 370.177221 195.3
[M+CH3COO]- 384.192871 219.0
[M+Na-2H]- 346.153686 181.1
[M]+ 325.17847142 178.8
[M]- 325.17956858 178.8
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.